SCHEMBL4394502

SCHEMBL4394502

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 5/20 0.49
CLPP Q16740 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
ITGB1 P05556 1/20 0.44
ITGA5 P08648 1/20 0.44
SLC6A9 P48067 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HIF1A Q16665 1/20 0.43
CA1 P00915 1/20 0.42
MMP2 P08253 1/20 0.42
CA14 Q9ULX7 1/20 0.42
THRB P10828 1/20 0.42
KMT2A Q03164 2/20 0.41
VCAM1 P19320 1/20 0.41
HCAR3 P49019 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL4464468 0.87 HCAR3 (0.49) MLYCDSMN1; SMN2ITGB1ITGA5ALDH1A1
SCHEMBL14236793 0.82 TSHR (0.57) MLYCDSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL3585691 0.80 LMNA (0.56) SMN1; SMN2ITGB1ITGA5ALDH1A1HIF1A
SCHEMBL5095907 0.80 ALDH1A1 (0.44) CLPPSMN1; SMN2ITGB1ITGA5ALDH1A1
SCHEMBL2934580 0.79 ATM (0.42) MLYCDCLPPALDH1A1KMT2AHCAR3
SCHEMBL28371978 0.79 SMN1; SMN2 (0.51) CLPPSMN1; SMN2ITGB1ITGA5ALDH1A1
SCHEMBL4302375 0.77 PDK1 (0.52) CLPPSMN1; SMN2ITGB1ITGA5ALDH1A1
SCHEMBL1298401 0.76 HSP90AA1 (0.48) MLYCDSMN1; SMN2ALDH1A1HCAR3MAPT
SCHEMBL3727544 0.76 THRB (0.52) CLPPSMN1; SMN2ITGB1ITGA5ALDH1A1
SCHEMBL12061581 0.75 ALDH1A1 (0.51) CLPPSMN1; SMN2ITGB1ITGA5ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236965-B2 Benzimidazole derivatives and their use as a medicament IPSEN PHARMA S.A.S. (FR) 2012-08-07 US disclosed
US-20090170922-A1 Benzimidazole derivatives and their use as a medicament SOCIETE DE CONSEILS DE RECHERECHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2009-07-02 US disclosed
US-7495110-B2 Benzimidazole derivatives and their use as GnRH antagonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-02-24 US disclosed
EP-1467974-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS GNRH ANTAGONISTS SOD CONSEILS RECH APPLIC (FR) 2007-08-15 EP disclosed
US-20050049290-A1 Benzimidazole derivatives and their use as gnrh antagonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S) (FR) 2005-03-03 US disclosed
EP-1467974-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS GNRH ANTAGONISTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A. (FR) 2004-10-20 EP disclosed
WO-2003053939-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS GNRH ANTAGONISTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-07-03 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 (2 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-20090170922-A1 Benzimidazole derivatives and their use as a medicament GNRHR, FSHR, KISS1R MLYCD 2239/4885CLPP 3791/4885SMN1; SMN2 4699/4885
US-20050049290-A1 Benzimidazole derivatives and their use as gnrh antagonists GNRHR, FSHR, KISS1R MLYCD 2444/4885CLPP 4254/4885SMN1; SMN2 4778/4885

“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.