SCHEMBL8536452

SCHEMBL8536452

CCNC(=O)c1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n(-c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.57
CHRNA7 P36544 1/20 0.54
PTGS1 P23219 3/20 0.52
PTGS2 P35354 5/20 0.49
EPHX2 P34913 1/20 0.49
MALT1 Q9UDY8 6/20 0.47
CYP2C9 P11712 2/20 0.47
PDPK1 O15530 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
RECQL P46063 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45

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
SCHEMBL8537811 0.86 CHRNA7 (0.57) CHRNA7PTGS1PTGS2EPHX2MALT1
SCHEMBL9103432 0.85 CA9 (0.72) CA9CHRNA7PTGS1PTGS2CYP2C9
SCHEMBL9101594 0.81 ILK (0.64) CHRNA7PTGS1PTGS2EPHX2MALT1
SCHEMBL9105407 0.80 PTGS2 (0.56) CHRNA7PTGS1PTGS2EPHX2MALT1
SCHEMBL17077240 0.79 PTGS1 (0.80) PTGS1PTGS2CYP2C9PDPK1
SCHEMBL17077245 0.78 ILK (0.70) CA9CHRNA7PTGS1PTGS2EPHX2
SCHEMBL15560871 0.77 RXRA (0.62) CA9PTGS1PTGS2EPHX2CYP2C9
SCHEMBL17077244 0.77 ILK (0.52) CA9CHRNA7PTGS1PTGS2CYP2C9
SCHEMBL17077237 0.74 ILK (0.62) CA9PTGS1PTGS2EPHX2
SCHEMBL9199132 0.72 CA9 (0.80) CA9CHRNA7PTGS1PTGS2

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
EP-2642856-B1 INTEGRIN-LINKED KINASE INHIBITORS UNIV OHIO STATE RES FOUND (US) 2017-07-19 EP disclosed
US-8658647-B2 Integrin-linked kinase inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2014-02-25 US disclosed
EP-2642856-A1 INTEGRIN-LINKED KINASE INHIBITORS The Ohio State University Research Foundation (US) 2013-10-02 EP disclosed
US-20120142702-A1 INTEGRIN-LINKED KINASE INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-07 US disclosed
WO-2012071310-A1 INTEGRIN-LINKED KINASE INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-05-31 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-20120142702-A1 INTEGRIN-LINKED KINASE INHIBITORS PTK2, ITGB1, ITGB2 CA9 2026/4885CHRNA7 1521/4885PTGS1 2318/4885

“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.