SCHEMBL4178804

SCHEMBL4178804

O=C(Nc1ccc(C(F)(F)F)cn1)c1cc[nH]n1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.58
DEGS1 O15121 1/20 0.52
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
GAA P10253 2/20 0.51
HIF1A Q16665 1/20 0.48
EPAS1 Q99814 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
RPS6KA3 P51812 1/20 0.46
FGFR4 P22455 2/20 0.46
MAPKAPK2 P49137 1/20 0.46
DYRK1A Q13627 1/20 0.45
POLB P06746 1/20 0.45
F10 P00742 1/20 0.45
PTGES O14684 1/20 0.45
SCN9A Q15858 1/20 0.44

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
SCHEMBL4185825 0.82 GRM5 (0.53)
SCHEMBL4192471 0.80 L3MBTL1 (0.58) RAB9ANPC1POLB
SCHEMBL6002659 0.80 NPC1 (0.54) PTGS1RAB9ANPC1TRPV1
SCHEMBL4178487 0.80 RAB9A (0.50) RAB9ANPC1
SCHEMBL4182877 0.79 PTGS1 (0.55) PTGS1DEGS1RAB9ANPC1GAA
SCHEMBL4194916 0.79 PTGS1 (0.51) PTGS1DEGS1RAB9ANPC1
SCHEMBL17894101 0.76 PTGS1 (0.74) PTGS1DEGS1RAB9ANPC1GAA
SCHEMBL30643217 0.76 PTGS1 (0.74) PTGS1DEGS1RAB9ANPC1GAA
SCHEMBL23195088 0.75 RAB9A (0.64) PTGS1DEGS1RAB9ANPC1GAA
SCHEMBL4203660 0.75 TMPRSS4 (0.56) TRPV1

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-20090143440-A1 Pyrazoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-06-04 US disclosed
EP-1943241-A1 PYRAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2008-07-16 EP disclosed
WO-2007051981-A1 PYRAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2007-05-10 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-20090143440-A1 Pyrazoles Useful in the Treatment of Inflammation ALOX15, ALOX12, ALOX15B PTGS1 25/4885DEGS1 1157/4885RAB9A 3588/4885

“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.