SCHEMBL2854491

SCHEMBL2854491

NC(=O)C(Cc1ccc(F)cc1)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
EPHX1 P07099 2/20 0.46
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
RAB9A P51151 2/20 0.41
CYP2C19 P33261 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RPS6KB1 P23443 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
OPRM1 P35372 1/20 0.38
MME P08473 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL2854300 0.86 EPHX1 (0.46) ALDH1A1EPHX1RAB9ACYP2C19NPC1
SCHEMBL29603269 0.80 SCN9A (0.46) EPHX1CNR1CNR2
SCHEMBL2856155 0.80 NPSR1 (0.48) ALDH1A1EPHX1RAB9ACYP2C19NPC1
SCHEMBL30637678 0.80 NR3C2 (0.40) ALDH1A1EPHX1RPS6KB1
SCHEMBL28835702 0.77 EPHX1 (0.77) ALDH1A1EPHX1CYP2C19PPARGPPARA
SCHEMBL31741261 0.75 ALDH1A1 (0.50) ALDH1A1RAB9ACYP2C19MEN1KMT2A
SCHEMBL11877321 0.75 CYP2C19 (0.44) ALDH1A1EPHX1RAB9ACYP2C19MEN1
SCHEMBL1127361 0.75 CYP1A2 (0.53) ALDH1A1EPHX1CYP2C19CYP1A2
SCHEMBL2432679 0.75 ALDH1A1 (0.50) ALDH1A1RAB9ACYP2C19MEN1KMT2A
SCHEMBL1127686 0.74 PTPRA (0.41) ALDH1A1CNR1CNR2CYP2C19PPARG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 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-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 ALDH1A1 3589/4885EPHX1 2814/4885CNR1 174/4885

“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.