SCHEMBL18558384

SCHEMBL18558384

O=C(/N=C(\Nc1cc(C(F)(F)F)[nH]n1)NC1(CO)CCCC1)c1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 4/20 0.37
ALOX15 P16050 1/20 0.35
RAB9A P51151 1/20 0.34
STK25 O00506 2/20 0.34
IDO1 P14902 3/20 0.34
APOL1 O14791 1/20 0.33
CHRNA3 P32297 1/20 0.33
CNR2 P34972 3/20 0.33
CNR1 P21554 2/20 0.32
MAPT P10636 1/20 0.32
CYP2D6 P10635 1/20 0.32

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 0.81 RAB9A (0.43) ALOX15RAB9ASTK25IDO1
SCHEMBL9921088 0.77 STK25 (0.38) ALOX15RAB9ASTK25MAPTCYP2D6
SCHEMBL18558119 0.75 MAPK1 (0.38) DGAT2RAB9ASTK25IDO1
SCHEMBL9921124 0.72 ACR (0.37) STK25
SCHEMBL9921043 0.72 STK25 (0.43) STK25
SCHEMBL18558140 0.72 STK25 (0.43) RAB9ASTK25MAPT
SCHEMBL9921027 0.72 CCNA2 (0.43) RAB9ASTK25MAPTCYP2D6
SCHEMBL18558383 0.72 APOL1 (0.35) DGAT2APOL1CNR2CNR1
SCHEMBL9920666 0.72 ALOX15 (0.44) ALOX15RAB9AMAPT
SCHEMBL9921097 0.71 MAPT (0.40) ALOX15RAB9ASTK25MAPTCYP2D6

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 DGAT2 4587/4885ALOX15 4300/4885RAB9A 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.