SCHEMBL9968439

SCHEMBL9968439

C=S(C)(=O)CC1CCN(c2cc(-c3nc4ccccc4n3C)c(C)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMO Q99835 11/20 0.47
HSD11B1 P28845 3/20 0.40
FAAH O00519 1/20 0.36
EPHX2 P34913 1/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MAPT P10636 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
SCHEMBL9968528 0.93 SMO (0.55) SMOHSD11B1GAAALDH1A1LMNA
SCHEMBL9931931 0.85 SMO (0.49) SMOHSD11B1KDM4ENPC1RAB9A
SCHEMBL9931497 0.83 SMO (0.62) SMOHSD11B1
SCHEMBL9968436 0.83 SMO (0.55) SMO
SCHEMBL9932025 0.81 SMO (0.51) SMOHSD11B1GAAALDH1A1LMNA
SCHEMBL9932026 0.81 SMO (0.60) SMOHSD11B1
SCHEMBL9968318 0.79 SMO (0.48) SMO
SCHEMBL9933043 0.76 SMO (0.57) SMOHSD11B1
SCHEMBL9968310 0.76 SMO (0.46) SMOHSD11B1FAAHEPHX2GAA
SCHEMBL9968297 0.76 SMO (0.50) SMOHSD11B1FAAHEPHX2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 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-20120157471-A1 BENZIMIDAZOLE DERIVATIVES SMO, RB1, GLI1 SMO 1/4885HSD11B1 3610/4885FAAH 4865/4885

“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.