SCHEMBL11922696

SCHEMBL11922696

COc1cc(Nc2nc3cc(C(=O)NCCc4cccs4)ccc3n2CCCN(C)CCc2ccccn2)cc(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PYGM P11217 2/20 0.43
▸ NPC1 O15118 5/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ HPGD P15428 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ENPP2 Q13822 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ ITK Q08881 1/20 0.39
▸ ADORA2A P29274 4/20 0.39
▸ MAPT P10636 1/20 0.38
▸ CNR1 P21554 2/20 0.38
▸ CNR2 P34972 2/20 0.38
▸ KIF11 P52732 2/20 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
SCHEMBL4392215 0.92 PYGM (0.40) PYGMNPC1ALDH1A1KDM4ECYP2C9
SCHEMBL4395041 0.86 EHMT2 (0.47) NPC1ALDH1A1KDM4ECYP2C9ITK
SCHEMBL4402052 0.86 EHMT2 (0.44) NPC1ALDH1A1KDM4ECYP2C9ITK
SCHEMBL5256263 0.79 ITK (0.39) PYGMNPC1ALDH1A1CYP2C9ITK
SCHEMBL4396730 0.75 MC4R (0.61) ALDH1A1KDM4ECNR1CNR2
SCHEMBL4395046 0.75 KDM4E (0.41) ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL4399407 0.74 MC4R (0.61) ALDH1A1KDM4ECNR1CNR2
SCHEMBL4521447 0.71 KIF11 (0.46) NPC1RAB9AKDM4ECYP2C9ITK
SCHEMBL4395051 0.70 CNR2 (0.56) CNR1CNR2
Hydrochloric Acid SCHEMBL4399463 0.70 CNR2 (0.56) CNR1CNR2

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-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-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
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

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-20090170922-A1 Benzimidazole derivatives and their use as a medicament GNRHR, FSHR, KISS1R PYGM 2154/4885NPC1 3830/4885RAB9A 3968/4885

“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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