SCHEMBL4923458

SCHEMBL4923458

Cc1cc(NC(=O)C(c2ccccc2)c2nc3cc(Cl)ccc3[nH]2)ccc1C(=O)N1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
F10 P00742 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
ESR1 P03372 1/20 0.38
NR4A1 P22736 1/20 0.38
PTK2B Q14289 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
AVPR2 P30518 3/20 0.38
AVPR1A P37288 2/20 0.38
ABCB11 O95342 1/20 0.38
ADRB2 P07550 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
SCHEMBL4916310 0.87 HRH4 (0.42) F10HRH4HRH3HTTALDH1A1
SCHEMBL4919190 0.86 F10 (0.42) F10HRH4HRH3HTTALDH1A1
SCHEMBL4920927 0.85 OPRM1 (0.39) SMN1; SMN2F10HRH4HRH3AVPR2
SCHEMBL4921679 0.85 POLB (0.42) SMN1; SMN2F10HRH4HRH3ALDH1A1
SCHEMBL4915089 0.84 F10 (0.40) SMN1; SMN2F10HRH4HRH3ALDH1A1
SCHEMBL4925817 0.84 F10 (0.40) SMN1; SMN2F10HRH4HRH3CNR1
SCHEMBL4919523 0.83 CYP11B2 (0.41) MAPTKMT2ANPC1POLB
SCHEMBL14281187 0.83 F10 (0.39) F10HRH4HRH3HTTALDH1A1
SCHEMBL4917951 0.82 F10 (0.39) SMN1; SMN2F10HRH4HRH3CNR1
SCHEMBL4921955 0.82 F10 (0.38) SMN1; SMN2F10HRH4HRH3ALDH1A1

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 6 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
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
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 NPY2R 2991/4885SMN1; SMN2 2595/4885F10 3212/4885
US-20080015178-A1 BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND USE THEREOF AS MEDICAMENT CYP2C19, CYP3A4, CYP2B6 NPY2R 2991/4885SMN1; SMN2 2595/4885F10 3212/4885

“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.