SCHEMBL20485357

SCHEMBL20485357

O=C(Cc1ccccc1F)Nc1ccn(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ELOVL1 Q9BW60 8/20 0.79
▸ TRPA1 O75762 2/20 0.52
▸ MAPT P10636 2/20 0.49
▸ CACNA1G O43497 1/20 0.47
▸ CACNA1H O95180 1/20 0.47
▸ CACNA1I Q9P0X4 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ KCNJ5 P48544 1/20 0.46
▸ KCNJ3 P48549 1/20 0.46
▸ TSHR P16473 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ROCK2 O75116 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ UBE2N P61088 1/20 0.42

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
SCHEMBL20250016 0.89 ELOVL1 (0.86) ELOVL1TRPA1MAPTCACNA1GCACNA1H
SCHEMBL20242031 0.88 ELOVL1 (1.00) ELOVL1MAPTCACNA1GCACNA1HCACNA1I
SCHEMBL20249949 0.88 ELOVL1 (0.74) ELOVL1TRPA1MAPTCACNA1GCACNA1H
SCHEMBL20249935 0.87 ELOVL1 (0.84) ELOVL1TRPA1MAPTCACNA1GCACNA1H
SCHEMBL20249783 0.86 ELOVL1 (0.82) ELOVL1TRPA1MAPTCACNA1GCACNA1H
SCHEMBL20485262 0.85 ELOVL1 (0.77) ELOVL1TRPA1MAPTCACNA1GCACNA1H
SCHEMBL20250176 0.84 ELOVL1 (0.78) ELOVL1TRPA1MAPTCACNA1GCACNA1H
SCHEMBL20249913 0.82 ELOVL1 (0.68) ELOVL1TRPA1MAPTCACNA1GCACNA1H
SCHEMBL20485349 0.82 ELOVL1 (0.78) ELOVL1TRPA1MAPTCACNA1GCACNA1H
SCHEMBL20250641 0.81 ELOVL1 (0.73) ELOVL1TRPA1MAPTCACNA1GCACNA1H

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 39/4885TRPA1 4060/4885MAPT 2013/4885

“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.

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