SCHEMBL9932753

SCHEMBL9932753

CC(=O)N1CCC(N(C)c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.43
SMO Q99835 7/20 0.43
ERG P11308 1/20 0.41
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
FAAH O00519 1/20 0.40
EPHX2 P34913 1/20 0.40
CYP2C9 P11712 1/20 0.40
PROKR1 Q8TCW9 1/20 0.39
HRH3 Q9Y5N1 4/20 0.39
PDE10A Q9Y233 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
SCHEMBL9968349 0.91 SMO (0.40) SMOERGCYP2C9PROKR1HRH3
SCHEMBL9932427 0.80 SMO (0.59) SMO
SCHEMBL9932360 0.78 MAP4K4 (0.44) SMOFAAHEPHX2CYP2C9HRH3
SCHEMBL9968292 0.77 MEN1 (0.43) SMOCYP2C9PDE10A
SCHEMBL9931986 0.77 SMO (0.56) SMO
SCHEMBL9931941 0.76 OPRM1 (0.44) SMOPIK3CAMTORCYP2C9HRH3
SCHEMBL9931427 0.75 SMO (0.43) BRD4SMOFAAHEPHX2
SCHEMBL9931946 0.75 SMO (0.43) BRD4SMOFAAHEPHX2
SCHEMBL12841512 0.75 SMO (0.43) BRD4SMOFAAHEPHX2
SCHEMBL9932043 0.75 SMO (0.42) SMOCYP2C9

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 BRD4 21/4885SMO 1/4885ERG 580/4885

“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.