SCHEMBL9933774

SCHEMBL9933774

NC(=O)Cc1ncc2ccsc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
ALDH1A1 P00352 4/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.31
ACHE P22303 1/20 0.31
MAP3K14 Q99558 1/20 0.31
CA2 P00918 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK8 P45983 1/20 0.30
NTRK1 P04629 1/20 0.30
LTK P29376 1/20 0.30
TYRO3 Q06418 1/20 0.30
NTRK2 Q16620 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL5439409 0.78 CYP2A6 (0.35) MAPK8NTRK1LTKTYRO3NTRK2
SCHEMBL20631751 0.75 HRH1 (0.30)
SCHEMBL20271932 0.75 MEN1 (0.36) ALDH1A1LMNARAB9AMEN1MAPT
SCHEMBL12343963 0.74 ADORA2A (0.37) LMNANTRK1LTKTYRO3NTRK2
Hydrochloric Acid SCHEMBL27786826 0.73 MEN1 (0.35) ALDH1A1MEN1MAPTPOLBMAP3K14
Hydrochloric Acid SCHEMBL27786824 0.72 MEN1 (0.34) ALDH1A1MEN1MAPTPOLBMAP3K14
SCHEMBL19838265 0.70
SCHEMBL1483458 0.70 ACHE (0.47) HTTALDH1A1LMNARAB9AMEN1
SCHEMBL5464684 0.69 DHODH (0.38) ALDH1A1SMN1; SMN2MAPK8NTRK1LTK
SCHEMBL20138480 0.68 HTR2C (0.44) ALDH1A1RAB9AL3MBTL1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655377-B1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS GLENMARK PHARMACEUTICALS SA (CH) 2016-03-30 EP disclosed
US-9073955-B2 2-amino-4-arylthiazole compounds as TRPA1 antagonists GLENMARK PHARMACEUTICALS, S.A. (CH) 2015-07-07 US disclosed
US-8889862-B2 2-amino-4-arylthiazole compounds as TRPA1 antagonists GLENMARK PHARMACEUTICALS, S.A. (CH) 2014-11-18 US disclosed
US-20140051667-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS GLENMARK PHARMACEUTICALS, S.A. (CH) 2014-02-20 US disclosed
US-20140045865-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS GLENMARK PHARMACEUTICALS, S.A. (CH) 2014-02-13 US disclosed
US-8592398-B2 2-amino-4-arylthiazole compounds as TRPA1 antagonists GLENMARK PHARMACEUTICALS, S.A. (CH) 2013-11-26 US disclosed
US-20120157411-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPAI ANTAGONISTS GLENMARK PHARMACEUTICALS, S.A. (CH) 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 (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-20120157411-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPAI ANTAGONISTS TRPA1, TRPV1, TRPV2 HTT 336/4885ALDH1A1 914/4885LMNA 2576/4885
US-20140045865-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 HTT 347/4885ALDH1A1 694/4885LMNA 2966/4885
US-20140051667-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 HTT 347/4885ALDH1A1 694/4885LMNA 2966/4885

“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.