SCHEMBL18558306

SCHEMBL18558306

O=C(/N=C(\Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)NC1CCCC1)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.46
NPC1 O15118 8/20 0.43
FLT3 P36888 3/20 0.42
GAK O14976 1/20 0.42
PDGFRB P09619 1/20 0.42
KIT P10721 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
MARK1 Q9P0L2 1/20 0.42
STK17A Q9UEE5 1/20 0.42
CHRNA3 P32297 1/20 0.41
EPHX1 P07099 1/20 0.39
KDR P35968 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR2B P41595 1/20 0.38
CRHR1 P34998 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAPT P10636 1/20 0.37
APP P05067 1/20 0.37

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
SCHEMBL18558518 0.94 RAB9A (0.54) RAB9ANPC1FLT3GAKPDGFRB
SCHEMBL18558196 0.91 CRHR1 (0.42) RAB9ANPC1FLT3KDRCRHR1
SCHEMBL18558357 0.91 RAB9A (0.39) RAB9ANPC1FLT3GAKPDGFRB
SCHEMBL18558447 0.89 CRHR1 (0.42) RAB9ANPC1FLT3KDRCRHR1
SCHEMBL18558433 0.89 RAB9A (0.49) RAB9ANPC1FLT3GAKPDGFRB
SCHEMBL18558475 0.89 KCNH2 (0.44) RAB9ANPC1HTR2BKCNH2MAPT
SCHEMBL18558215 0.89 CRHR1 (0.39) RAB9ANPC1FLT3KDRCRHR1
SCHEMBL18558171 0.88 RAB9A (0.40) RAB9ANPC1FLT3GAKPDGFRB
SCHEMBL18557157 0.87 CSNK2A2 (0.52) RAB9AFLT3GAKPDGFRBKIT
SCHEMBL18558478 0.87 CRHR1 (0.39) RAB9ANPC1FLT3KDRCRHR1

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 RAB9A 519/4885NPC1 1877/4885FLT3 1714/4885

“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.