SCHEMBL9933073

SCHEMBL9933073

Cn1c(-c2ccnc(N3CCCN(S(C)(=O)=O)CC3)c2)nc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMO Q99835 3/20 0.46
HSD11B1 P28845 5/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LRRK2 Q5S007 4/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
GRM2 Q14416 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KIT P10721 1/20 0.40
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DPP4 P27487 1/20 0.39

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
SCHEMBL9932249 0.96 HSD11B1 (0.48) SMOHSD11B1MEN1KMT2ALRRK2
SCHEMBL9968321 0.88 HSD11B1 (0.47) SMOHSD11B1MEN1KMT2ALRRK2
SCHEMBL9932266 0.86 MEN1 (0.58) MEN1KMT2ACA1CA2GRM2
SCHEMBL9968330 0.85 MEN1 (0.55) MEN1KMT2ACA1CA2GRM2
SCHEMBL9968309 0.85 MEN1 (0.55) MEN1KMT2ACA1CA2GRM2
SCHEMBL3512187 0.84 SMO (0.59) SMOHSD11B1CA1CA2SMN1; SMN2
SCHEMBL9932455 0.82 ITGB2 (0.49) SMOMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL9968480 0.82 LRRK2 (0.47) SMOHSD11B1MEN1KMT2ALRRK2
SCHEMBL9932398 0.80 KARS1 (0.52) MEN1KMT2AALDH1A1HSD17B10NPC1
SCHEMBL9968308 0.80 MEN1 (0.44) SMOHSD11B1MEN1KMT2ALRRK2

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 3610/4885MEN1 1168/4885

“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.