SCHEMBL9932025

SCHEMBL9932025

Cc1cnc(N2CCN(S(C)(=O)=O)CC2)cc1-c1nc2ccccc2n1C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMO Q99835 4/20 0.51
HSD11B1 P28845 5/20 0.47
GPBAR1 Q8TDU6 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TSHR P16473 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3R1 P27986 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
LRRK2 Q5S007 3/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL9932631 0.90 SMO (0.59) SMOHSD11B1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL1533871 0.90 SMO (0.47) SMOHSD11B1GPBAR1SMN1; SMN2NPC1
SCHEMBL9931931 0.85 SMO (0.49) SMOHSD11B1NPC1RAB9ALRRK2
SCHEMBL9933119 0.83 SMO (0.51) SMOSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL9968528 0.83 SMO (0.55) SMOHSD11B1SMN1; SMN2NPC1RAB9A
SCHEMBL9968436 0.83 SMO (0.55) SMO
SCHEMBL9932249 0.82 HSD11B1 (0.48) SMOHSD11B1SMN1; SMN2NPC1RAB9A
SCHEMBL9968297 0.82 SMO (0.50) SMOHSD11B1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL9968439 0.81 SMO (0.47) SMOHSD11B1SMN1; SMN2NPC1RAB9A
SCHEMBL9932106 0.81 SMO (0.48) SMOHSD11B1SMN1; SMN2NPSR1TSHR

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 SMO 1/4885HSD11B1 3610/4885GPBAR1 1402/4885

“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.