SCHEMBL9968431

SCHEMBL9968431

CN(C1CCN(c2cc(-c3nc4ccccc4n3C)c(F)cn2)CC1)S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.40
SMO Q99835 2/20 0.39
HSD11B1 P28845 2/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
USP2 O75604 1/20 0.37
HRH1 P35367 4/20 0.36
CYP2D6 P10635 3/20 0.36
KCNH2 Q12809 3/20 0.36
TACR1 P25103 1/20 0.36
DRD4 P21917 1/20 0.36
GRM2 Q14416 1/20 0.36
PTAFR P25105 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 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
SCHEMBL9931378 0.89 SMO (0.44) PDE10ASMO
SCHEMBL9971215 0.89 PDE10A (0.40) PDE10ASMOHSD11B1SMN1; SMN2USP2
SCHEMBL9968432 0.84 SMO (0.56) SMOKCNH2
SCHEMBL9932767 0.84 PDE10A (0.44) PDE10ASMOHSD11B1
SCHEMBL1533871 0.83 SMO (0.47) SMOHSD11B1SMN1; SMN2DRD4GRM2
SCHEMBL9931827 0.83 SSTR2 (0.43) PDE10AKCNH2DRD4GRM2KDM4E
SCHEMBL9931814 0.81 SMO (0.49) SMOHSD11B1KDM4E
SCHEMBL9932768 0.80 KMT2A (0.47) SMOHSD11B1ATMSMN1; SMN2DRD4
SCHEMBL1533932 0.80 SMO (0.43) SMOMEN1KMT2ARXFP1
SCHEMBL9931793 0.80 PDE10A (0.39) PDE10ASMOHSD11B1SMN1; SMN2USP2

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 3 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
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 PDE10A 1879/4885SMO 1/4885HSD11B1 3610/4885

“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.