SCHEMBL20485744

SCHEMBL20485744

O=C(Cc1ccccc1F)Nc1ccn(-c2ccnc(Cl)c2)n1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ELOVL1 Q9BW60 10/20 0.71
▸ ALDH1A1 P00352 2/20 0.49
▸ TRPA1 O75762 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ ABL1 P00519 1/20 0.43
▸ ANO1 Q5XXA6 1/20 0.43
▸ CACNA1G O43497 1/20 0.43
▸ CACNA1H O95180 1/20 0.43
▸ CACNA1I Q9P0X4 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL20250150 0.89 ELOVL1 (0.73) ELOVL1ALDH1A1TRPA1MAPTANO1
SCHEMBL20249956 0.88 ELOVL1 (0.71) ELOVL1ALDH1A1TRPA1MAPTANO1
SCHEMBL20249761 0.86 ELOVL1 (0.79) ELOVL1ALDH1A1TRPA1MAPTABL1
SCHEMBL20249913 0.86 ELOVL1 (0.68) ELOVL1ALDH1A1TRPA1MAPTANO1
SCHEMBL20250641 0.85 ELOVL1 (0.73) ELOVL1ALDH1A1TRPA1MAPTABL1
SCHEMBL20250112 0.85 ELOVL1 (0.73) ELOVL1ALDH1A1TRPA1MAPTABL1
SCHEMBL20242258 0.85 ELOVL1 (0.70) ELOVL1MAPTABL1CACNA1GCACNA1H
SCHEMBL20249935 0.85 ELOVL1 (0.84) ELOVL1ALDH1A1TRPA1MAPTCACNA1G
SCHEMBL20250027 0.84 ELOVL1 (0.72) ELOVL1ALDH1A1TRPA1MAPTABL1
SCHEMBL20249783 0.84 ELOVL1 (0.82) ELOVL1ALDH1A1TRPA1MAPTABL1

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
US-20180251431-A1 1,3-SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL FOR REDUCTION OF VERY LONG CHAIN FATTY ACID LEVELS VERTEX PHARMACEUTICALS INCORPORATED 2018-09-06 — — US claimed
US-20180251431-A1 1,3-SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL FOR REDUCTION OF VERY LONG CHAIN FATTY ACID LEVELS VERTEX PHARMACEUTICALS INCORPORATED 2018-09-06 — — 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-20180251431-A1 1,3-SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL FOR REDUCTION OF VERY LONG CHAIN FATTY ACID LEVELS HSD17B4, CPT1A, ADH1A ELOVL1 39/4885ALDH1A1 69/4885TRPA1 4060/4885

“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.

Send feedback