SCHEMBL20249761

SCHEMBL20249761

O=C(Cc1ccccc1F)Nc1ccn(-c2cccc(Cl)c2)n1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ELOVL1 Q9BW60 5/20 0.79
▸ TRPV1 Q8NER1 3/20 0.53
▸ CACNA1G O43497 2/20 0.51
▸ CACNA1H O95180 2/20 0.51
▸ CACNA1I Q9P0X4 2/20 0.51
▸ CACNA1C Q13936 1/20 0.51
▸ TRPA1 O75762 2/20 0.51
▸ MAPT P10636 1/20 0.49
▸ KMT2A Q03164 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ USP36 Q9P275 1/20 0.46
▸ ABL1 P00519 1/20 0.46
▸ KCNJ5 P48544 1/20 0.44
▸ KCNJ3 P48549 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
SCHEMBL20250641 0.90 ELOVL1 (0.73) ELOVL1TRPV1CACNA1GCACNA1HCACNA1I
SCHEMBL20249741 0.90 ELOVL1 (0.80) ELOVL1CACNA1GCACNA1HCACNA1ITRPA1
SCHEMBL20250176 0.89 ELOVL1 (0.78) ELOVL1CACNA1GCACNA1HCACNA1ITRPA1
SCHEMBL20249783 0.89 ELOVL1 (0.82) ELOVL1CACNA1GCACNA1HCACNA1ITRPA1
SCHEMBL20242031 0.88 ELOVL1 (1.00) ELOVL1CACNA1GCACNA1HCACNA1IMAPT
SCHEMBL20250112 0.88 ELOVL1 (0.73) ELOVL1CACNA1GCACNA1HCACNA1ITRPA1
SCHEMBL20485258 0.87 ELOVL1 (0.75) ELOVL1CACNA1GCACNA1HCACNA1ICACNA1C
SCHEMBL20249949 0.86 ELOVL1 (0.74) ELOVL1TRPV1CACNA1GCACNA1HCACNA1I
SCHEMBL20485744 0.86 ELOVL1 (0.71) ELOVL1CACNA1GCACNA1HCACNA1ITRPA1
SCHEMBL20250016 0.84 ELOVL1 (0.86) ELOVL1CACNA1GCACNA1HCACNA1ITRPA1

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 39/4885TRPV1 4207/4885CACNA1G 2851/4885

“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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