SCHEMBL18557724

SCHEMBL18557724

COc1ccc(C(=O)/N=C(/NCc2ccc(F)cc2Cl)Nc2cc(C(F)(F)F)n[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.43
ROCK1 Q13464 3/20 0.43
P2RX7 Q99572 13/20 0.43
EPHX2 P34913 3/20 0.42
MAPT P10636 1/20 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
SCHEMBL18558250 0.91 MAPT (0.48) ROCK2ROCK1P2RX7EPHX2MAPT
SCHEMBL18558668 0.91 P2RX7 (0.47) ROCK2ROCK1P2RX7
SCHEMBL9905224 0.87 P2RX7 (0.43) ROCK2ROCK1P2RX7
SCHEMBL9905225 0.87 P2RX7 (0.43) ROCK2ROCK1P2RX7
SCHEMBL18558571 0.87 P2RX7 (0.45) ROCK2ROCK1P2RX7
SCHEMBL18558586 0.87 P2RX7 (0.45) ROCK2ROCK1P2RX7
SCHEMBL18557578 0.86 ROCK2 (0.45) ROCK2ROCK1P2RX7
SCHEMBL18558144 0.85 P2RX7 (0.45) ROCK2ROCK1P2RX7
SCHEMBL18558567 0.83 MAPT (0.45) ROCK2ROCK1P2RX7EPHX2MAPT
SCHEMBL19362800 0.83 MAPT (0.43) ROCK2ROCK1P2RX7EPHX2MAPT

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 ROCK2 1467/4885ROCK1 849/4885P2RX7 93/4885

“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.