SCHEMBL9972891

SCHEMBL9972891

Cc1c(C(C)(C)C)c2c(=O)n(C)c(=O)n(C)c2n1C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.30
PABPC1 P11940 1/20 0.30
LGMN Q99538 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
SCHEMBL12611139 0.68 ADRA2C (0.35) KMT2A
SCHEMBL9972907 0.68 ERCC5 (0.32) KDM4EALDH1A1
SCHEMBL9972892 0.67 KDM4E (0.40) KDM4EKMT2AALDH1A1POLB
SCHEMBL9881266 0.66 ADORA2A (0.32) POLBLGMN
SCHEMBL7083772 0.61 GSK3A (0.39) KDM4EL3MBTL1POLBLGMN
SCHEMBL9972886 0.61 KDM4E (0.31) KDM4EKMT2AALDH1A1
SCHEMBL8279209 0.60
SCHEMBL9972895 0.60 KDM4E (0.35) KDM4EKMT2AALDH1A1POLB
SCHEMBL9972894 0.60 KDM4E (0.58) KDM4EL3MBTL1ALDH1A1POLB
SCHEMBL15472439 0.59 ADORA2A (0.43) KDM4EKMT2APOLB

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-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-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 KDM4E 4035/4885L3MBTL1 3487/4885KMT2A 2406/4885
US-20140045865-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 KDM4E 4154/4885L3MBTL1 3253/4885KMT2A 2625/4885
US-20140051667-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 KDM4E 4154/4885L3MBTL1 3253/4885KMT2A 2625/4885

“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.