SCHEMBL441273

SCHEMBL441273

CC(C)N1C(=O)c2cc(Cl)c([N+](=O)[O-])cc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 6/20 0.40
MAPK1 P28482 2/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 2/20 0.39
KAT2B Q92831 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
STAT6 P42226 1/20 0.37
HIF1A Q16665 1/20 0.37
PHLPP2 Q6ZVD8 1/20 0.37

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
SCHEMBL441605 0.81 CA12 (0.47) VCAM1MAPK1TSHRALDH1A1CYP3A4
SCHEMBL452426 0.81 CYP1A2 (0.44) MAPK1TSHRALDH1A1CYP3A4TP53
SCHEMBL14447507 0.77 LMNA (0.40) VCAM1MAPK1TSHRALDH1A1CYP3A4
SCHEMBL19030402 0.75 KCNH2 (0.38) VCAM1MAPK1TSHRALDH1A1CYP3A4
SCHEMBL28918530 0.73 VCAM1 (0.44) VCAM1ALDH1A1CYP3A4HPGDCYP1A2
SCHEMBL1949999 0.72 PTPRC (0.53) ALDH1A1CYP3A4CA12CA9TDP1
SCHEMBL20033852 0.72 MEN1 (0.39) MAPK1ALDH1A1CYP3A4GAAHPGD
SCHEMBL3980207 0.70 TSHR (0.54) VCAM1MAPK1TSHRALDH1A1CYP3A4
SCHEMBL11657285 0.70 ALDH1A1 (0.50) VCAM1MAPK1TSHRALDH1A1CYP3A4
SCHEMBL786237 0.70 CYP3A4 (0.50) VCAM1MAPK1TSHRALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273055-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-03-01 US disclosed
US-9273055-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-03-01 US disclosed
US-9273055-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-03-01 US disclosed
US-20150038536-A1 TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2015-02-05 US disclosed
US-20150038536-A1 TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2015-02-05 US disclosed
US-20150038536-A1 TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2015-02-05 US disclosed
US-8822500-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-09-02 US disclosed
US-8822500-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-09-02 US disclosed
US-8822500-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-09-02 US disclosed
WO-2012037155-A2 TYROSINE KINASE INHIBITORS GTX, INC. (US) 2012-03-22 WO disclosed
WO-2012037155-A2 TYROSINE KINASE INHIBITORS GTX, INC. (US) 2012-03-22 WO disclosed
US-20120065200-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2012-03-15 US disclosed
US-20120065233-A1 TYROSINE KINASE INHIBITORS GREGOR VLAD EDWARD (US) 2012-03-15 US disclosed
US-20120065233-A1 TYROSINE KINASE INHIBITORS GREGOR VLAD EDWARD (US) 2012-03-15 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-20150038536-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 VCAM1 986/4885MAPK1 633/4885TSHR 2262/4885
US-20120065200-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE NOTUM, GLA, CES1 VCAM1 2044/4885MAPK1 2071/4885TSHR 3513/4885
US-20120065233-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 VCAM1 986/4885MAPK1 633/4885TSHR 2262/4885

“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.