Sugi Predict

Sugi Predict / Compounds / SCHEMBL2934580

SCHEMBL2934580

SCHEMBL2934580

CC(C)CCN(CCC(C)C)C(=O)c1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ LPAR1 Q92633 1/20 0.40
▸ LPAR5 Q9H1C0 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ MC4R P32245 3/20 0.40
▸ MLYCD O95822 2/20 0.39
▸ F2 P00734 1/20 0.39
▸ F10 P00742 1/20 0.39
▸ F7 P08709 1/20 0.39
▸ SRD5A2 P31213 1/20 0.38
▸ CLPP Q16740 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HCAR3 P49019 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1298401 0.82 HSP90AA1 (0.48) ATMTDP1CTSKMAPTMLYCD
SCHEMBL4394502 0.79 MLYCD (0.49) MAPTMLYCDCLPPKMT2AALDH1A1
SCHEMBL6648516 0.78 HCAR3 (0.54) ALDH1A1TSHRHCAR3CASP6
SCHEMBL30477963 0.78 ALDH1A1 (0.52) ATMTDP1CTSKMAPTHTT
SCHEMBL355589 0.78 ALDH1A1 (0.52) ATMTDP1CTSKMAPTHTT
SCHEMBL3794972 0.76 SMN1; SMN2 (0.47) MAPTMC4RKMT2AALDH1A1HCAR3
SCHEMBL14236793 0.75 TSHR (0.57) MAPTMLYCDKMT2AALDH1A1GAA
SCHEMBL3720349 0.74 AR (0.47) ATMTDP1MAPTKMT2AALDH1A1
SCHEMBL380426 0.73 KMT2A (0.42) ATMTDP1CTSKKMT2AALDH1A1
SCHEMBL380425 0.73 KMT2A (0.42) ATMTDP1CTSKKMT2AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120316201-A1 NOVEL BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AND USE THEREOF AS A MEDICAMENT IPSEN PHARMA S.A.S. (FR) 2012-12-13 — — US disclosed
US-8288395-B2 Pyrimido-benzimidzole derivatives and the use thereof in the form of agonists or antagonists of melanocortin receptors IPSEN PHARMA S.A.S. (FR) 2012-10-16 — — US disclosed
US-8227485-B2 Benzimidazole and imidazopyridine derivatives and use thereof as a medicament IPSEN PHARMA S.A.S. (FR) 2012-07-24 — — US disclosed
US-7816539-B2 Derivatives of benzimidazole and imidazo-pyridine and their use as medicaments IPSEN PHARMA S.A.S. (FR) 2010-10-19 — — US disclosed
US-20100256135-A1 PYRIMIDO-BENZIMIDZOLE DERIVATIVES AND THE USE THEREOF IN THE FORM OF AGONISTS OR ANTAGONISTS OF MELANOCORTIN RECEPTORS IPSEN PHARMA S.A.S. (FR) 2010-10-07 — — US disclosed
EP-1692114-B1 NOVEL BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AND USE THEREOF AS A MEDICAMENT IPSEN PHARMA (FR) 2010-09-22 — — EP disclosed
US-7763725-B2 used for treating metabolic, nervous sytsem and skin disorders,inflammatory diseases, obesity, cachexia, erectile dysfunction, neuropathic pain, or as antidepressants, anxiolytic and anticarcinogenic agents IPSEN PHARMA S.A.S. (FR) 2010-07-27 — — US disclosed
US-20090270372-A1 NOVEL DERIVATIVES OF BENZIMIDAZOLE AND IMIDAZO-PYRIDINE AND THEIR USE AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET (FR) 2009-10-29 — — US disclosed
US-20090209531-A1 Pyrimido-Benzimidazole Derivatives and the Use Thereof in the Form of Agonists and Antagonists of Melanocortin Receptors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2009-08-20 — — US disclosed
US-7501525-B2 Derivatives of benzimidazole and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-03-10 — — US disclosed
US-7355052-B2 Benzimidazole and imidazopyridine derivatives and use thereof as a medicament SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2008-04-08 — — US disclosed
EP-1768985-B1 PYRIMIDO-BENZIMIDAZOLE DERIVATIVES AND THE USE THEREOF IN THE FORM OF AGONISTS OR ANTAGONISTS OF MELANOCORTIN RECEPTORS SOD CONSEILS RECH APPLIC (FR) 2008-01-23 — — EP disclosed
EP-1599167-B1 BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES HAVING AFFINITY FOR THE MELANOCORTIN RECEPTORS AND USE THEREOF AS A MEDICAMENT SOD CONSEILS RECH APPLIC (FR) 2007-10-03 — — EP disclosed
US-20060281784-A1 Novel benzimidazole and imidazopyridine derivatives and use thereof as a medicament SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 2006-12-14 — — US disclosed
EP-1692114-A1 NOVEL BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AND USE THEREOF AS A MEDICAMENT Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2006-08-23 — — EP disclosed
US-20050267147-A1 Novel benzimidazole and imidazopyridine derivatives and use thereof as a medicament IPSEN PHARMA S.A.S. (FR) 2005-12-01 — — US disclosed
EP-1599167-A2 NOVEL BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AND USE THEREOF AS A MEDICAMENT Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2005-11-30 — — EP disclosed
WO-2005056533-A1 NOVEL BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AND USE THEREOF AS A MEDICAMENT SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2005-06-23 — — WO disclosed
US-20050065179-A1 Novel derivatives of benzimidazole and imidazo-pyridine and their use as medicaments IPSEN PHARMA S.A.S. (FR) 2005-03-24 — — US disclosed
WO-2004075823-A2 NOVEL BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AND USE THEREOF AS A MEDICAMENT SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-09-10 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090270372-A1 NOVEL DERIVATIVES OF BENZIMIDAZOLE AND IMIDAZO-PYRIDINE AND THEIR USE AS MEDICAMENTS MC4R, MC3R, MC1R ATM 3835/4885TDP1 4818/4885LPAR1 1964/4885
US-20050065179-A1 Novel derivatives of benzimidazole and imidazo-pyridine and their use as medicaments MC1R, MC4R, MC3R ATM 3815/4885TDP1 4570/4885LPAR1 2089/4885
US-20050267147-A1 Novel benzimidazole and imidazopyridine derivatives and use thereof as a medicament MC4R, MC1R, MC5R ATM 4273/4885TDP1 4515/4885LPAR1 2671/4885
US-20120316201-A1 NOVEL BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AND USE THEREOF AS A MEDICAMENT MC4R, MC5R, MC1R ATM 4483/4885TDP1 4826/4885LPAR1 1867/4885
US-20060281784-A1 Novel benzimidazole and imidazopyridine derivatives and use thereof as a medicament MC4R, MC5R, MC1R ATM 4336/4885TDP1 4850/4885LPAR1 1802/4885
US-20100256135-A1 PYRIMIDO-BENZIMIDZOLE DERIVATIVES AND THE USE THEREOF IN THE FORM OF AGONISTS OR ANTAGONISTS OF MELANOCORTIN RECEPTORS MC4R, MC5R, MC1R ATM 4442/4885TDP1 4810/4885LPAR1 439/4885
US-20090209531-A1 Pyrimido-Benzimidazole Derivatives and the Use Thereof in the Form of Agonists and Antagonists of Melanocortin Receptors MC4R, MC5R, MC1R ATM 4431/4885TDP1 4758/4885LPAR1 450/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.