SCHEMBL2450375

SCHEMBL2450375

Cc1cnc(C(C)(O)c2cccc3ccccc23)n1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
CFTR P13569 1/20 0.35
GOPC Q9HD26 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KIF11 P52732 1/20 0.32
ACP3 P15309 1/20 0.30
KMT2A Q03164 1/20 0.30
TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL19130800 0.73 CYP2C19 (0.56) CYP2C19CYP3A4TSHRCFTRGOPC
SCHEMBL9806370 0.73 CYP2C19 (0.56) CYP2C19CYP3A4TSHRCFTRGOPC
SCHEMBL1423385 0.73 CYP2C19 (0.42) CYP2C19CYP3A4TSHRCFTRGOPC
SCHEMBL1423288 0.73 CYP2C19 (0.45) CYP2C19CYP3A4TSHRCFTRGOPC
SCHEMBL31359426 0.72 CYP2C19 (0.43) CYP2C19CYP3A4TSHRCFTRGOPC
SCHEMBL3755263 0.72 CYP2C19 (0.43) CYP2C19CYP3A4TSHRCFTRGOPC
SCHEMBL10693897 0.68 CYP3A4 (0.47) CYP2C19CYP3A4TSHRCFTRGOPC
SCHEMBL22075848 0.67 CYP11B1 (0.35) CYP2C19CYP3A4CYP2D6KMT2A
SCHEMBL17111064 0.67 CYP2C19 (0.44) CYP2C19CYP3A4TSHRCFTRGOPC
SCHEMBL19130465 0.67 TSHR (0.44) CYP2C19CYP3A4TSHRCYP1A2CYP2D6

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-8013169-B2 Naphthylmethylimidizoles as therapeutic agents ALLERGAN, INC (US) 2011-09-06 US disclosed
US-20100004305-A1 NAPHTHYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. 2010-01-07 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-20100004305-A1 NAPHTHYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALPI, ALPP, NCL CYP2C19 728/4885CYP3A4 727/4885TSHR 4204/4885

“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.