SCHEMBL3580237

SCHEMBL3580237

NC(=S)c1ccc(-c2ccncc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CYP17A1 P05093 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
QDPR P09417 1/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
CHUK O15111 1/20 0.43
CHEK2 O96017 1/20 0.42
NOTUM Q6P988 1/20 0.42
CDC7 O00311 1/20 0.42
KIF11 P52732 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 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
SCHEMBL623286 0.85
Hydrochloric Acid SCHEMBL6683216 0.83 CA1 (0.50) MAPTLMNASMN1; SMN2HTTCA1
SCHEMBL3104632 0.77 CYP17A1 (0.72) HDAC1HDAC6CYP17A1CCNCCDK8
SCHEMBL25090641 0.77 WDR5 (0.61) MAPTLMNAHDAC1HDAC6CYP17A1
SCHEMBL2206586 0.77 HTT (0.62) MAPTLMNASMN1; SMN2HTT
SCHEMBL13974866 0.77 LSS (0.59) CYP17A1SMN1; SMN2
SCHEMBL6697507 0.76 WDR5 (0.60) MAPTSMN1; SMN2HTTMKNK1MKNK2
SCHEMBL18155125 0.76 ESR1 (0.55) MAPTLMNASMN1; SMN2HTT
Hydrochloric Acid SCHEMBL4442122 0.76 CYP17A1 (0.70) HDAC1HDAC6CYP17A1CCNCCDK8
SCHEMBL17202396 0.75 MAPT (0.61) MAPTLMNAHDAC1HDAC6CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
EP-1962605-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-09-03 EP disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 MAPT 4292/4885LMNA 4877/4885HDAC1 1549/4885

“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.