SCHEMBL4395041

SCHEMBL4395041

COC(=O)c1ccc2c(c1)nc(Nc1cc(OC)cc(OC)c1)n2CCCN(C)CCc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 1/20 0.47
▸ KIF11 P52732 7/20 0.47
▸ ITK Q08881 1/20 0.42
▸ CNR2 P34972 4/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ OPRM1 P35372 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ DRD2 P14416 1/20 0.38
▸ TBXA2R P21731 1/20 0.38
▸ ADORA2A P29274 1/20 0.38

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 0.94 EHMT2 (0.44) EHMT2KIF11ITKCNR2CYP2C9
SCHEMBL4392215 0.87 PYGM (0.40) EHMT2KIF11ITKCNR2CYP2C9
SCHEMBL11922696 0.86 PYGM (0.43) KIF11ITKCNR2CYP2C9KDM4E
SCHEMBL4521447 0.82 KIF11 (0.46) EHMT2KIF11ITKCNR2CYP2C9
SCHEMBL4395046 0.82 KDM4E (0.41) KDM4EALDH1A1TDP1
SCHEMBL4396730 0.81 MC4R (0.61) CNR2KDM4EALDH1A1OPRM1CNR1
Hydrochloric Acid SCHEMBL4399407 0.80 MC4R (0.61) CNR2KDM4EALDH1A1OPRM1CNR1
SCHEMBL4392194 0.76 PTGDR2 (0.47) EHMT2DRD2TBXA2R
SCHEMBL4396720 0.75 ALDH1A1 (0.49) CNR2KDM4EALDH1A1TDP1
SCHEMBL4395051 0.74 CNR2 (0.56) EHMT2CNR2OPRM1CNR1

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 EHMT2 2985/4885KIF11 1910/4885ITK 3623/4885
US-20050049290-A1 Benzimidazole derivatives and their use as gnrh antagonists GNRHR, FSHR, KISS1R EHMT2 3026/4885KIF11 1933/4885ITK 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.

Send feedback