SCHEMBL20250077

SCHEMBL20250077

O=C(Cc1ccccc1F)Nc1ccn(-c2ccncc2F)n1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ELOVL1 Q9BW60 6/20 0.68
▸ NPY5R Q15761 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ HTT P42858 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ PRKACA P17612 1/20 0.45
▸ ROCK1 Q13464 1/20 0.45
▸ KMT2A Q03164 1/20 0.43
▸ LMNA P02545 3/20 0.42
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CACNA1G O43497 2/20 0.41
▸ CACNA1H O95180 2/20 0.41
▸ CACNA1I Q9P0X4 2/20 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
SCHEMBL20250017 0.88 ELOVL1 (0.77) ELOVL1ALDH1A1KMT2ALMNAMAPT
SCHEMBL20250218 0.88 ELOVL1 (0.62) ELOVL1NPY5RDRD3MAPTCACNA1G
SCHEMBL20249935 0.85 ELOVL1 (0.84) ELOVL1ALDH1A1HTTPRKACAROCK1
SCHEMBL20250227 0.84 ELOVL1 (0.79) ELOVL1ALDH1A1HTTPRKACAROCK1
SCHEMBL20250282 0.83 ELOVL1 (0.67) ELOVL1ALDH1A1HTTPRKACAROCK1
SCHEMBL20485349 0.82 ELOVL1 (0.78) ELOVL1ALDH1A1HTTLMNAMAPT
SCHEMBL20250650 0.81 ELOVL1 (0.67) ELOVL1ALDH1A1HTTPRKACAROCK1
SCHEMBL20242031 0.81 ELOVL1 (1.00) ELOVL1ALDH1A1HTTLMNAMAPT
SCHEMBL20249799 0.81 ELOVL1 (0.69) ELOVL1ALDH1A1KMT2ALMNAMAPT
SCHEMBL20485329 0.80 ELOVL1 (0.71) ELOVL1ALDH1A1HTTPRKACAROCK1

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-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
WO-2018107056-A1 1,3-SUBSTITUED PYRAZOLE COMPOUNDS USEFUL FOR REDUCTION OF VERY LONG CHAIN FATTY ACIC LEVELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-06-14 — — 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-20180251431-A1 1,3-SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL FOR REDUCTION OF VERY LONG CHAIN FATTY ACID LEVELS HSD17B4, CPT1A, ADH1A ELOVL1 39/4885NPY5R 2067/4885ALDH1A1 69/4885

“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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