SCHEMBL1423385

SCHEMBL1423385

Cc1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1C(C)(O)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 18)

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
HPGD P15428 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP2A6 P11509 1/20 0.32
KIF11 P52732 1/20 0.32
ACP3 P15309 1/20 0.30
P2RX7 Q99572 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
SCHEMBL1423288 0.83 CYP2C19 (0.45) CYP2C19CYP3A4TSHRCFTRGOPC
SCHEMBL31359426 0.74 CYP2C19 (0.43) CYP2C19CYP3A4TSHRCFTRGOPC
SCHEMBL3755263 0.74 CYP2C19 (0.43) CYP2C19CYP3A4TSHRCFTRGOPC
SCHEMBL19130800 0.73 CYP2C19 (0.56) CYP2C19CYP3A4TSHRCFTRGOPC
SCHEMBL9806370 0.73 CYP2C19 (0.56) CYP2C19CYP3A4TSHRCFTRGOPC
SCHEMBL2450375 0.73 CYP2C19 (0.42) CYP2C19CYP3A4TSHRCFTRGOPC
SCHEMBL1424040 0.71 CDC25B (0.47) CYP2C19TSHRHPGDCYP1A2NPSR1
SCHEMBL2453942 0.71 TSHR (0.44) CYP2C19CYP3A4TSHRCFTRGOPC
SCHEMBL10439558 0.67 CYP1A2 (0.44) CYP2C19CYP3A4TSHRHPGDCYP1A2
SCHEMBL17111064 0.67 CYP2C19 (0.44) CYP2C19CYP3A4TSHRCFTRGOPC

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258167-B2 Naphthylmethylimidizoles as therapeutic agents ALLERGAN, INC (US) 2012-09-04 US disclosed
US-8013169-B2 Naphthylmethylimidizoles as therapeutic agents ALLERGAN, INC (US) 2011-09-06 US disclosed
EP-2296648-A1 NAPHTHYLMETHYLIMIDIZOLES FOR THE TREATMENT OF STRESS URINARY INCONTINENCE Allergan, Inc. (US) 2011-03-23 EP disclosed
WO-2009140137-A9 NAPHTHYLMETHYLIMIDIZOLES FOR THE TREATMENT OF STRESS URINARY INCONTINENCE ALLERGAN, INC. (US) 2010-03-18 WO disclosed
US-20100004305-A1 NAPHTHYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. 2010-01-07 US disclosed
WO-2009140137-A1 NAPHTHYLMETHYLIMIDIZOLES FOR THE TREATMENT OF STRESS URINARY INCONTINENCE ALLERGAN, INC. (US) 2009-11-19 WO disclosed
US-20090286842-A1 NAPHTHYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2009-11-19 US disclosed
WO-2008086131-A1 NAPHTHYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2008-07-17 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 (2 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-20090286842-A1 NAPHTHYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS NQO1, HNMT, ALPI CYP2C19 1231/4885CYP3A4 2623/4885TSHR 4688/4885
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.