SCHEMBL9603129

SCHEMBL9603129

C/C(=C/c1cc2ccccc2s1)[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.51
FBP1 P09467 2/20 0.50
ABL1 P00519 1/20 0.42
EGFR P00533 1/20 0.42
ABL2 P42684 1/20 0.42
ERN1 O75460 1/20 0.40
GSK3B P49841 1/20 0.40
BCL2L1 Q07817 1/20 0.39
TUBB4A P04350 2/20 0.39
TUBB P07437 2/20 0.39
TUBA3C P0DPH7 2/20 0.39
TUBA1B P68363 2/20 0.39
TUBA4A P68366 2/20 0.39
TUBB4B P68371 2/20 0.39
TUBB3 Q13509 2/20 0.39
TUBB2A Q13885 2/20 0.39
TUBB8 Q3ZCM7 2/20 0.39
TUBA3E Q6PEY2 2/20 0.39
TUBA1A Q71U36 2/20 0.39
TUBA1C Q9BQE3 2/20 0.39

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
SCHEMBL29611325 1.00 CYP2A6 (0.51) CYP2A6FBP1ABL1EGFRABL2
SCHEMBL3460006 1.00 CYP2A6 (0.51) CYP2A6FBP1ABL1EGFRABL2
SCHEMBL3460005 1.00 CYP2A6 (0.51) CYP2A6FBP1ABL1EGFRABL2
SCHEMBL6024004 0.79 CYP2A6 (0.45) CYP2A6ERN1GSK3BBCL2L1TUBB4A
SCHEMBL6024653 0.79 CYP2A6 (0.45) CYP2A6ERN1GSK3BBCL2L1TUBB4A
SCHEMBL21470169 0.79 CYP2A6 (0.58) CYP2A6GSK3BBCL2L1TUBB4ATUBB
SCHEMBL27666205 0.76 CYP2A6 (0.55) CYP2A6GSK3BBCL2L1TUBB4ATUBB
SCHEMBL793013 0.73 CYP2A6 (0.56) CYP2A6FBP1ERN1GSK3BTUBB4A
SCHEMBL793012 0.73 CYP2A6 (0.56) CYP2A6FBP1ERN1GSK3BTUBB4A
SCHEMBL24026902 0.73 CYP2A6 (0.51) CYP2A6GSK3BBCL2L1TUBB4ATUBB

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-9249147-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-02-02 US disclosed
US-9249147-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-02-02 US disclosed
EP-2966076-A1 NOVEL TYROSINE KINASE INHIBITORS ChemBridge Corporation (US) 2016-01-13 EP disclosed
EP-2262807-B1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE CORP (US) 2015-08-12 EP disclosed
US-20150011539-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2015-01-08 US disclosed
US-20150011539-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2015-01-08 US disclosed
US-8815906-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-08-26 US disclosed
US-8815906-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-08-26 US disclosed
US-20130053376-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2013-02-28 US disclosed
US-20130053376-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2013-02-28 US disclosed
WO-2009117097-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE CORPORATION (US) 2009-09-24 WO disclosed
EP-0279263-B1 INDOLE, BENZOFURAN, BENZOTHIOPHENE CONTAINING LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1993-08-04 EP disclosed
US-4873259-A Indole, benzofuran, benzothiophene containing lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1989-10-10 US disclosed
EP-0279263-A2 Indole, benzofuran, benzothiophene containing lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1988-08-24 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 (2 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-20150011539-A1 NOVEL TYROSINE KINASE INHIBITORS ABL1, RET, TTBK1 CYP2A6 2803/4885FBP1 828/4885ABL1 1/4885
US-20130053376-A1 NOVEL TYROSINE KINASE INHIBITORS ABL1, RET, TTBK1 CYP2A6 2803/4885FBP1 828/4885ABL1 1/4885

“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.