SCHEMBL9921043

SCHEMBL9921043

O=C(/N=C(\Nc1cc(C(F)(F)F)[nH]n1)NC1CCCCCC1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STK25 O00506 1/20 0.43
TRPV1 Q8NER1 6/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX2 P34913 1/20 0.40
ACKR3 P25106 1/20 0.40
HDAC4 P56524 2/20 0.39
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39
CCNA1 P78396 2/20 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
SCHEMBL18558588 0.91 RAB9A (0.43) STK25MEN1KMT2AACKR3HDAC4
SCHEMBL18558140 0.90 STK25 (0.43) STK25MEN1KMT2ASMN1; SMN2EPHX2
SCHEMBL9921027 0.90 CCNA2 (0.43) STK25SMN1; SMN2ACKR3CCNA2CDK2
SCHEMBL18558261 0.90 CCNA2 (0.42) STK25MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL9920897 0.89 STK25 (0.39) STK25EPHX2ACKR3HDAC4CCNA2
SCHEMBL9920808 0.88 NPC1 (0.42) STK25SMN1; SMN2EPHX2ACKR3HDAC4
SCHEMBL9920918 0.88 CCNA2 (0.51) STK25MEN1LMNAKMT2AEPHX2
SCHEMBL9920997 0.88 STK25 (0.39) STK25TRPV1EPHX2HDAC4CCNA2
SCHEMBL18558196 0.85 CRHR1 (0.42) TRPV1CCNA2CDK2CCNA1
SCHEMBL18558471 0.85 STK25 (0.40) STK25MEN1KMT2AHDAC4

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 STK25 2813/4885TRPV1 3419/4885MEN1 3346/4885

“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.