SCHEMBL9103432

SCHEMBL9103432

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

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 4/20 0.72
CHRNA7 P36544 3/20 0.56
FAAH O00519 2/20 0.54
PTGS1 P23219 3/20 0.52
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PTGS2 P35354 3/20 0.51
MAPT P10636 2/20 0.48
ALOX5 P09917 1/20 0.47
MEN1 O00255 1/20 0.47
ALOX12 P18054 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL9199132 0.88 CA9 (0.80) CA9CHRNA7FAAHPTGS1HTT
SCHEMBL9207779 0.85 CA9 (0.75) CA9CHRNA7FAAHPTGS1HTT
SCHEMBL16876845 0.85 FAAH (0.58) CA9CHRNA7FAAHPTGS1PTGS2
SCHEMBL8536452 0.85 CA9 (0.57) CA9CHRNA7PTGS1PTGS2CYP2C9
SCHEMBL9203320 0.84 CA9 (0.84) CA9CHRNA7FAAHPTGS1HTT
SCHEMBL9210890 0.84 CA9 (0.74) CA9CHRNA7FAAHPTGS1HTT
SCHEMBL17077244 0.84 ILK (0.52) CA9CHRNA7PTGS1HTTL3MBTL1
SCHEMBL17077240 0.79 PTGS1 (0.80) PTGS1PTGS2CYP2C9
SCHEMBL2916210 0.79 CHRNA7 (0.52) CA9CHRNA7FAAHPTGS1PTGS2
SCHEMBL16876837 0.78 FAAH (0.58) CA9CHRNA7FAAHPTGS1PTGS2

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-9457031-B2 Antibacterial protein kinase inhibitors OHIO STATE INNOVATION FOUNDATION 2016-10-04 US disclosed
US-20150258100-A1 ANTIBACTERIAL PROTEIN KINASE INHIBITORS OHIO STATE INNOVATION FOUNDATION 2015-09-17 US disclosed
US-8658647-B2 Integrin-linked kinase inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2014-02-25 US disclosed
US-20120142702-A1 INTEGRIN-LINKED KINASE INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-07 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 (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-20120142702-A1 INTEGRIN-LINKED KINASE INHIBITORS PTK2, ITGB1, ITGB2 CA9 2026/4885CHRNA7 1521/4885FAAH 4790/4885
US-20150258100-A1 ANTIBACTERIAL PROTEIN KINASE INHIBITORS DMPK, MYLK3, MYLK2 CA9 3875/4885CHRNA7 4540/4885FAAH 2732/4885

“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.