SCHEMBL9932360

SCHEMBL9932360

CC(=O)N(C)C1CCN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.44
SMO Q99835 7/20 0.41
ITGB2 P05107 2/20 0.40
ICAM1 P05362 2/20 0.40
ITGAL P20701 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
MCHR1 Q99705 1/20 0.39
ZAP70 P43403 1/20 0.39
TACR1 P25103 2/20 0.39
TACR3 P29371 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
FAAH O00519 1/20 0.38
EPHX2 P34913 1/20 0.38
CYP2C9 P11712 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
SCHEMBL9931941 0.93 OPRM1 (0.44) SMOHRH3MCHR1TACR1TACR3
SCHEMBL9931893 0.93 MEN1 (0.41) SMOMEN1KMT2ACYP2C9
SCHEMBL9931455 0.91 SMO (0.40) SMOHRH3MCHR1TACR1TACR3
SCHEMBL9968401 0.91 PDE10A (0.46) SMOHRH3MCHR1CYP2C9
SCHEMBL9932767 0.86 PDE10A (0.44) SMO
SCHEMBL9932415 0.85 PDE10A (0.42) SMOMEN1KMT2ACYP2C9
SCHEMBL9932043 0.85 SMO (0.42) SMOCYP2C9
SCHEMBL9932181 0.83 SMO (0.47) SMOTACR1TACR3MEN1KMT2A
SCHEMBL9931559 0.83 SMO (0.47) SMOTACR1TACR3MEN1KMT2A
SCHEMBL9933208 0.83 CYP2C9 (0.41) SMOMEN1KMT2ACYP2C9

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-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 US disclosed
US-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 US disclosed
US-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 US disclosed
WO-2011027249-A2 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2011-03-10 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 (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-20120157471-A1 BENZIMIDAZOLE DERIVATIVES SMO, RB1, GLI1 MAP4K4 2724/4885SMO 1/4885ITGB2 2471/4885

“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.