SCHEMBL4917951

SCHEMBL4917951

C=CCC(C(=O)Nc1ccc(C(=O)N2CCCC2)c(C)c1)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.39
CCNK O75909 2/20 0.38
CDK12 Q9NYV4 2/20 0.38
HRH4 Q9H3N8 4/20 0.38
HRH3 Q9Y5N1 2/20 0.38
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
MAPT P10636 1/20 0.35
AVPR2 P30518 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGS2 P35354 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
MLLT1 Q03111 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK7 P50613 1/20 0.35
CCNH P51946 1/20 0.35
MNAT1 P51948 1/20 0.35
F11 P03951 1/20 0.35
KMT2A Q03164 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
SCHEMBL4915089 0.89 F10 (0.40) F10CCNKCDK12HRH4HRH3
SCHEMBL4925817 0.89 F10 (0.40) F10HRH4HRH3CNR1CNR2
SCHEMBL4921679 0.88 POLB (0.42) F10CCNKCDK12HRH4HRH3
SCHEMBL4921955 0.87 F10 (0.38) F10CCNKCDK12HRH4HRH3
SCHEMBL4916310 0.86 HRH4 (0.42) F10CCNKCDK12HRH4HRH3
SCHEMBL5096770 0.85 HRH4 (0.43) F10CCNKCDK12HRH4HRH3
SCHEMBL4920927 0.85 OPRM1 (0.39) F10HRH4HRH3AVPR2SMN1; SMN2
SCHEMBL4915154 0.85 F10 (0.37) F10CCNKCDK12HRH4HRH3
SCHEMBL4919190 0.85 F10 (0.42) F10CCNKCDK12HRH4HRH3
SCHEMBL14281187 0.83 F10 (0.39) F10CCNKCDK12HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015178-A1 BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND USE THEREOF AS MEDICAMENT GERLACH KAI 2008-01-17 US claimed
EP-1756068-A1 BENZIMIDAZOLES, METHOD FOR PRODUCING THEM AND THE USE THEREOF AS DRUGS Boehringer Ingelheim International GmbH (DE) 2007-02-28 EP claimed
WO-2005121103-A1 BENZIMIDAZOLES, METHOD FOR PRODUCING THEM AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-22 WO claimed
US-20050272792-A1 Benzimidazoles, process for their preparation and use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-08 US claimed
US-20080015178-A1 BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND USE THEREOF AS MEDICAMENT GERLACH KAI 2008-01-17 US disclosed
US-20080015178-A1 BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND USE THEREOF AS MEDICAMENT GERLACH KAI 2008-01-17 US disclosed
US-20080015178-A1 BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND USE THEREOF AS MEDICAMENT GERLACH KAI 2008-01-17 US disclosed
EP-1756068-A1 BENZIMIDAZOLES, METHOD FOR PRODUCING THEM AND THE USE THEREOF AS DRUGS Boehringer Ingelheim International GmbH (DE) 2007-02-28 EP disclosed
WO-2005121103-A1 BENZIMIDAZOLES, METHOD FOR PRODUCING THEM AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-22 WO disclosed
WO-2005121103-A1 BENZIMIDAZOLES, METHOD FOR PRODUCING THEM AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-22 WO disclosed
US-20050272792-A1 Benzimidazoles, process for their preparation and use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-08 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 (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-20050272792-A1 Benzimidazoles, process for their preparation and use thereof as medicament CYP2C19, CYP3A4, CYP2B6 F10 3212/4885CCNK 1112/4885CDK12 300/4885
US-20080015178-A1 BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND USE THEREOF AS MEDICAMENT CYP2C19, CYP3A4, CYP2B6 F10 3212/4885CCNK 1112/4885CDK12 300/4885

“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.