SCHEMBL12374600

SCHEMBL12374600

Cc1ccc(-n2c(C(C)C)nc3cc(C(=O)O)ccc32)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.66
HSD17B10 Q99714 2/20 0.59
HTT P42858 1/20 0.57
CRBN Q96SW2 2/20 0.50
THRB P10828 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
HPGD P15428 3/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
HCAR3 P49019 2/20 0.45
HCAR2 Q8TDS4 1/20 0.45
PTGER4 P35408 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
RXRA P19793 1/20 0.43
ESR1 P03372 1/20 0.43

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
SCHEMBL12136777 0.84 HSD17B10 (0.52) SMN1; SMN2HSD17B10HTTCRBNTHRB
SCHEMBL2281814 0.83 SMN1; SMN2 (0.55) SMN1; SMN2HSD17B10HTTCRBNTHRB
SCHEMBL463732 0.78 SMN1; SMN2 (0.53) SMN1; SMN2HSD17B10HTTHPGDL3MBTL1
SCHEMBL13750435 0.78 PDE10A (0.49) SMN1; SMN2HSD17B10HTTCRBNKDM4E
SCHEMBL12374636 0.78 SMN1; SMN2 (0.57) SMN1; SMN2HSD17B10HTTTHRBSIRT2
Hydrochloric Acid SCHEMBL440736 0.77 SMN1; SMN2 (0.52) SMN1; SMN2HSD17B10HTTHPGDL3MBTL1
SCHEMBL12374601 0.75 TRPV1 (0.51) SMN1; SMN2CRBNKDM4EALDH1A1GAA
SCHEMBL29784251 0.74 HSD17B10 (1.00) SMN1; SMN2HSD17B10HTTTHRBHPGD
SCHEMBL120600 0.74 HSD17B10 (1.00) SMN1; SMN2HSD17B10HTTTHRBHPGD
SCHEMBL29829098 0.74 SIRT2 (0.58) SMN1; SMN2HSD17B10HTTTHRBSIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470819-B2 Benzimidazole and aza-benzimidazole carboxamides MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME LLC 2011-08-25 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-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES PAFAH1B3, PAFAH1B2, PAF1 SMN1; SMN2 3978/4885HSD17B10 3937/4885HTT 4547/4885

“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.