SCHEMBL4395046

SCHEMBL4395046

COc1cc(Nc2nc3c(C)c(C(=O)O)ccc3n2CCCN(C)CCc2ccccn2)cc(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ GNRHR P30968 9/20 0.38
▸ PTGER4 P35408 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.35

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
SCHEMBL4402052 0.85 EHMT2 (0.44) KDM4EALDH1A1TDP1
SCHEMBL4395041 0.82 EHMT2 (0.47) KDM4EALDH1A1TDP1
SCHEMBL4392215 0.76 PYGM (0.40) KDM4EALDH1A1TDP1
SCHEMBL11922696 0.75 PYGM (0.43) KDM4EALDH1A1
Hydrochloric Acid SCHEMBL4399407 0.69 MC4R (0.61) KDM4EALDH1A1
SCHEMBL4400689 0.67 MC4R (0.44) KDM4EALDH1A1TDP1GNRHR
SCHEMBL4521447 0.65 KIF11 (0.46) KDM4EMEN1KMT2A
SCHEMBL4395051 0.64 CNR2 (0.56) —
SCHEMBL4396720 0.64 ALDH1A1 (0.49) KDM4EALDH1A1TDP1MEN1PKM
SCHEMBL5460505 0.64 CNR1 (0.54) KDM4EALDH1A1TDP1KMT2A

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 KDM4E 813/4885ALDH1A1 2294/4885TDP1 4048/4885
US-20050049290-A1 Benzimidazole derivatives and their use as gnrh antagonists GNRHR, FSHR, KISS1R KDM4E 657/4885ALDH1A1 3107/4885TDP1 4127/4885

“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.

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