SCHEMBL5484015

SCHEMBL5484015

Cc1cc2nc(SCc3ccccc3C#N)[nH]c2cc1C

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
HPGD P15428 5/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
RAB9A P51151 2/20 0.64
MAPT P10636 2/20 0.64
KDM4E B2RXH2 1/20 0.64
POLB P06746 1/20 0.57
CTSB P07858 1/20 0.51
HRH4 Q9H3N8 1/20 0.48
OPRL1 P41146 1/20 0.47
CNR2 P34972 2/20 0.45
NPC1 O15118 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL6475945 0.81 ATP4A (0.56) ALDH1A1HPGDSMN1; SMN2RAB9AMAPT
SCHEMBL15693654 0.81 SMN1; SMN2 (0.69) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL9677090 0.79 HRH4 (0.55) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL9693032 0.78 HPGD (0.57) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL15693644 0.78 NPC1 (0.66) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL5485409 0.74 RAB9A (0.56) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL6406930 0.74 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL15693645 0.73 CYP2E1 (0.68) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL15693655 0.72 CYP2D6 (0.66) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL4205976 0.72 MAPT (0.48) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275995-A1 Thiobenzimidazole derivatives TEIJIN PHARMA LIMITED 2007-11-29 US disclosed
US-7268145-B2 Thiobenzimidazole derivatives TEIJIN PHARMA LIMITED (JP) 2007-09-11 US disclosed
US-20060040976-A1 Thiobenzimidazole derivatives TEIJIN LIMITED 2006-02-23 US disclosed
US-20050267148-A1 Benzimidazole derivative TEIJIN LIMITED 2005-12-01 US disclosed
EP-1097926-A1 THIOBENZIMIDAZOLE DERIVATIVES TEIJIN LIMITED (JP) 2001-05-09 EP 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 (3 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-20070275995-A1 Thiobenzimidazole derivatives CMA1, SERPINB1, TMPRSS15 ALDH1A1 466/4885HPGD 1548/4885SMN1; SMN2 2109/4885
US-20060040976-A1 Thiobenzimidazole derivatives CMA1, SERPINB1, TMPRSS15 ALDH1A1 466/4885HPGD 1548/4885SMN1; SMN2 2109/4885
US-20050267148-A1 Benzimidazole derivative CMA1, SERPINB1, TPSAB1 ALDH1A1 264/4885HPGD 1568/4885SMN1; SMN2 1588/4885

“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.