SCHEMBL3917809

SCHEMBL3917809

O=C(Nc1ccc(Cl)cc1)c1ccc(-c2nc3ccccc3[nH]2)cc1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 4/20 0.88
MMP2 P08253 3/20 0.81
MMP9 P14780 3/20 0.81
MMP8 P22894 3/20 0.81
MMP13 P45452 3/20 0.81
PRSS12 P56730 2/20 0.77
RAB9A P51151 6/20 0.72
NPC1 O15118 4/20 0.72
MEN1 O00255 3/20 0.72
KMT2A Q03164 3/20 0.72
CHEK2 O96017 1/20 0.72
KDM4E B2RXH2 6/20 0.68
HPGD P15428 3/20 0.68
ALDH1A1 P00352 2/20 0.68
MAPT P10636 4/20 0.67
POLB P06746 3/20 0.67
RECQL P46063 2/20 0.67
THRB P10828 1/20 0.67
ATM Q13315 1/20 0.67
SMN1; SMN2 Q16637 2/20 0.66

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
SCHEMBL6259448 1.00 HPSE (0.88) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6281518 0.94 HPSE (1.00) HPSEMMP2MMP9MMP8MMP13
SCHEMBL8820125 0.94 HPSE (1.00) HPSEMMP2MMP9MMP8MMP13
SCHEMBL2242293 0.90 MMP2 (1.00) HPSEMMP2MMP9MMP8MMP13
SCHEMBL14381560 0.89 PRSS12 (0.72) HPSEMMP2MMP9MMP8MMP13
SCHEMBL14381859 0.89 PRSS12 (0.72) HPSEMMP2MMP9MMP8MMP13
SCHEMBL14381547 0.89 PRSS12 (0.72) HPSEMMP2MMP9MMP8MMP13
SCHEMBL14381564 0.88 CHEK2 (0.72) HPSEMMP2MMP9MMP8MMP13
SCHEMBL27202512 0.88 HPSE (0.88) HPSEMMP2MMP9MMP8MMP13
SCHEMBL27202550 0.88 HPSE (0.88) HPSEMMP2MMP9MMP8MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7271261-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-09-18 US claimed
US-7504414-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-03-17 US disclosed
US-20080009493-A1 Substituted Benzimidazoles and Imidazo-[4,5]-Pyridines ARIENTI KRISTEN L 2008-01-10 US disclosed
US-7271261-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-09-18 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-20080009493-A1 Substituted Benzimidazoles and Imidazo-[4,5]-Pyridines CDKN1A, DDB1, TMBIM6 HPSE 3576/4885MMP2 4666/4885MMP9 4869/4885

“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.