SCHEMBL20485728

SCHEMBL20485728

O=C(Cc1cccc(F)c1)Nc1ccn(-c2ccccc2)n1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELOVL1 Q9BW60 6/20 0.77
▸ CACNA1G O43497 4/20 0.61
▸ CACNA1I Q9P0X4 4/20 0.61
▸ CACNA1H O95180 3/20 0.61
▸ MAPT P10636 3/20 0.58
▸ KDM4E B2RXH2 1/20 0.56
▸ CACNA1C Q13936 1/20 0.54
▸ 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
▸ NFKB1 P19838 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MKNK1 Q9BUB5 1/20 0.48
▸ KCNQ2 O43526 1/20 0.48
▸ LMNA P02545 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
SCHEMBL20249743 0.93 ELOVL1 (0.77) ELOVL1CACNA1GCACNA1ICACNA1HMAPT
SCHEMBL20485402 0.90 ELOVL1 (0.76) ELOVL1CACNA1GCACNA1ICACNA1HMAPT
SCHEMBL18320907 0.87 ELOVL1 (1.00) ELOVL1CACNA1GCACNA1ICACNA1HMAPT
SCHEMBL20485270 0.86 ELOVL1 (0.82) ELOVL1CACNA1GCACNA1ICACNA1HMAPT
SCHEMBL20250000 0.86 ELOVL1 (0.82) ELOVL1CACNA1GCACNA1ICACNA1HMAPT
SCHEMBL20485356 0.86 ELOVL1 (0.73) ELOVL1CACNA1GCACNA1ICACNA1HMAPT
SCHEMBL20250059 0.86 ELOVL1 (0.77) ELOVL1CACNA1GCACNA1ICACNA1HMAPT
SCHEMBL20485290 0.86 ELOVL1 (0.77) ELOVL1CACNA1GCACNA1ICACNA1HMAPT
SCHEMBL20485374 0.85 ELOVL1 (0.72) ELOVL1CACNA1GCACNA1ICACNA1HMAPT
SCHEMBL20249941 0.84 ELOVL1 (0.74) 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 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 39/4885CACNA1G 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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