SCHEMBL4521447

SCHEMBL4521447

COC(=O)c1ccc2c(c1)nc(Nc1cc(OC)cc(OC)c1)n2CCCNC(C)Cc1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 7/20 0.46
▸ EHMT2 Q96KQ7 1/20 0.45
▸ ITK Q08881 1/20 0.43
▸ CNR2 P34972 3/20 0.41
▸ OPRM1 P35372 1/20 0.40
▸ CYP2C9 P11712 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ TBXA2R P21731 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ STING1 Q86WV6 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MC4R P32245 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
SCHEMBL5256263 0.87 ITK (0.39) KIF11EHMT2ITKCNR2OPRM1
SCHEMBL4395041 0.82 EHMT2 (0.47) KIF11EHMT2ITKCNR2OPRM1
SCHEMBL4518845 0.82 MC4R (0.61) CNR2OPRM1MC4R
SCHEMBL4402052 0.76 EHMT2 (0.44) KIF11EHMT2ITKCNR2OPRM1
SCHEMBL5256358 0.74 MC4R (0.44) CNR2OPRM1NPC1KDM4EMC4R
SCHEMBL11922696 0.71 PYGM (0.43) KIF11ITKCNR2CYP2C9NPC1
SCHEMBL4392215 0.71 PYGM (0.40) KIF11EHMT2ITKCNR2OPRM1
SCHEMBL16463988 0.70 EHMT2 (0.77) KIF11EHMT2ITKCNR2OPRM1
SCHEMBL4395051 0.68 CNR2 (0.56) EHMT2CNR2OPRM1MC4R
SCHEMBL13983230 0.68 EHMT2 (0.53) KIF11EHMT2ITKCNR2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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

For each of this compound's patents that has machine-readable text (1 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-20050049290-A1 Benzimidazole derivatives and their use as gnrh antagonists GNRHR, FSHR, KISS1R KIF11 1933/4885EHMT2 3026/4885ITK 3588/4885

“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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