SCHEMBL18558140

SCHEMBL18558140

Cc1ccc(C(=O)/N=C(\Nc2cc(C(F)(F)F)[nH]n2)NC2CCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STK25 O00506 2/20 0.43
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
CRHR1 P34998 1/20 0.40
EPHX1 P07099 1/20 0.38
ADORA1 P30542 2/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
S1PR1 P21453 1/20 0.37
HDAC4 P56524 2/20 0.36
BTK Q06187 1/20 0.36
EPHX2 P34913 1/20 0.35
NPY5R Q15761 1/20 0.35

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) STK25NPC1RAB9ACYP1A2POLB
SCHEMBL9921027 0.90 CCNA2 (0.43) STK25NPC1RAB9ASMN1; SMN2CYP2C19
SCHEMBL9921043 0.90 STK25 (0.43) STK25SMN1; SMN2KMT2AMEN1HDAC4
SCHEMBL18558261 0.90 CCNA2 (0.42) STK25NPC1RAB9ASMN1; SMN2CRHR1
SCHEMBL18558471 0.89 STK25 (0.40) STK25NPC1RAB9ACRHR1KMT2A
SCHEMBL9920997 0.88 STK25 (0.39) STK25CRHR1HDAC4BTKEPHX2
SCHEMBL9920897 0.87 STK25 (0.39) STK25NPC1RAB9ACRHR1EPHX1
SCHEMBL9920808 0.86 NPC1 (0.42) STK25NPC1RAB9ASMN1; SMN2POLB
SCHEMBL9920918 0.84 CCNA2 (0.51) STK25MAPTKMT2AMEN1EPHX2
SCHEMBL9920841 0.83 CCNA2 (0.41) STK25NPC1RAB9ASMN1; SMN2MAPT

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 STK25 2813/4885NPC1 1877/4885RAB9A 519/4885

“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.