SCHEMBL18558571

SCHEMBL18558571

Cc1cc(C(=O)/N=C(/NCc2ccc(F)cc2Cl)Nc2cc(C(F)(F)F)n[nH]2)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 0.45
ROCK2 O75116 2/20 0.44
ROCK1 Q13464 2/20 0.44
TRPV1 Q8NER1 2/20 0.38

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
SCHEMBL18558586 0.93 P2RX7 (0.45) P2RX7ROCK2ROCK1TRPV1
SCHEMBL9905224 0.92 P2RX7 (0.43) P2RX7ROCK2ROCK1TRPV1
SCHEMBL9905225 0.92 P2RX7 (0.43) P2RX7ROCK2ROCK1TRPV1
SCHEMBL18558668 0.91 P2RX7 (0.47) P2RX7ROCK2ROCK1TRPV1
SCHEMBL18558144 0.88 P2RX7 (0.45) P2RX7ROCK2ROCK1TRPV1
SCHEMBL18557724 0.87 ROCK2 (0.43) P2RX7ROCK2ROCK1
SCHEMBL18558250 0.85 MAPT (0.48) P2RX7ROCK2ROCK1
SCHEMBL17088577 0.84 P2RX7 (0.46) P2RX7ROCK2ROCK1
SCHEMBL19041567 0.83 P2RX7 (0.35) P2RX7ROCK2ROCK1TRPV1
SCHEMBL18557578 0.81 ROCK2 (0.45) P2RX7ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932313-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-04-03 US disclosed
US-20170267643-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-09-21 US disclosed
US-9580388-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2017-02-28 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 (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-20170267643-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5F1D, ATP5ME P2RX7 93/4885ROCK2 1467/4885ROCK1 849/4885

“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.