SCHEMBL9920822

SCHEMBL9920822

O=C(/N=C(\Nc1cc(C(F)(F)F)n[nH]1)NC1CCC1)c1ccc(Cl)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.36
HDAC4 P56524 2/20 0.36
TRPV1 Q8NER1 2/20 0.35
ACKR3 P25106 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
PDE4B Q07343 1/20 0.35
MAPK1 P28482 1/20 0.34
F10 P00742 1/20 0.34
CRHR1 P34998 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
ATF4 P18848 1/20 0.34

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
SCHEMBL9920885 0.98 ACKR3 (0.37) HDAC6HDAC4ACKR3CCNA2CDK2
SCHEMBL18558524 0.93 MEN1 (0.35) HDAC6TRPV1CCNA2CDK2CRHR1
SCHEMBL9920911 0.93 NPC1 (0.39) HDAC6HDAC4CCNA2CDK2CCNA1
SCHEMBL9921025 0.92 HDAC6 (0.39) HDAC6HDAC4TRPV1CDK2PDE4B
SCHEMBL18558525 0.91 DYRK1A (0.34) HDAC6MEN1ALDH1A1KMT2AATF4
SCHEMBL9921024 0.91 GSK3B (0.38) HDAC6TRPV1CCNA2CDK2CCNA1
SCHEMBL9920869 0.91 NPC1 (0.42) HDAC6HDAC4ACKR3CCNA2CDK2
SCHEMBL9921137 0.89 CCNA2 (0.41) HDAC6HDAC4CCNA2CDK2CCNA1
SCHEMBL9921026 0.88 ALDH1A1 (0.38) ALDH1A1
SCHEMBL19041504 0.87 HDAC6 (0.32) HDAC6

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 6 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
EP-2648511-B1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORP (US) 2017-06-28 EP disclosed
US-9580388-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-9139532-B2 Pyrazolyl guanidine F1F0-atpase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-09-22 US disclosed
WO-2012078874-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION (US) 2012-06-14 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-20170267643-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5F1D, ATP5ME HDAC6 2034/4885HDAC4 1902/4885TRPV1 3419/4885

“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.