SCHEMBL20250000

SCHEMBL20250000

O=C(Cc1ccccc1)Nc1ccn(-c2ccc(F)cc2)n1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ELOVL1 Q9BW60 5/20 0.82
▸ CACNA1G O43497 10/20 0.65
▸ CACNA1I Q9P0X4 10/20 0.65
▸ CACNA1H O95180 9/20 0.65
▸ MAPT P10636 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.56
▸ TSHR P16473 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ NPC1 O15118 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ CACNA1C Q13936 1/20 0.48

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
SCHEMBL20485270 0.95 ELOVL1 (0.82) ELOVL1CACNA1GCACNA1ICACNA1HMAPT
SCHEMBL18320907 0.91 ELOVL1 (1.00) ELOVL1CACNA1GCACNA1ICACNA1HMAPT
SCHEMBL20249775 0.87 ELOVL1 (0.82) ELOVL1CACNA1GCACNA1ICACNA1HMAPT
SCHEMBL20485262 0.86 ELOVL1 (0.77) ELOVL1CACNA1GCACNA1ICACNA1HMAPT
SCHEMBL20485728 0.86 ELOVL1 (0.77) ELOVL1CACNA1GCACNA1ICACNA1HMAPT
SCHEMBL20249743 0.86 ELOVL1 (0.77) ELOVL1CACNA1GCACNA1ICACNA1HMAPT
SCHEMBL20250182 0.86 ELOVL1 (0.73) ELOVL1CACNA1GCACNA1ICACNA1HMAPT
SCHEMBL20250625 0.86 ELOVL1 (0.64) ELOVL1CACNA1GCACNA1ICACNA1HMAPT
SCHEMBL20485402 0.86 ELOVL1 (0.76) ELOVL1CACNA1GCACNA1ICACNA1HMAPT
SCHEMBL20250019 0.86 ELOVL1 (0.85) ELOVL1CACNA1GCACNA1ICACNA1HMAPT

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 39/4885CACNA1G 2851/4885CACNA1I 2448/4885

“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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