SCHEMBL1423935

SCHEMBL1423935

Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(I)n1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GRM5 P41594 3/20 0.32
ADORA3 P0DMS8 2/20 0.31
ADORA2A P29274 2/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL4884756 0.81 CYP11B1 (0.35) CYP11B1CYP11B2NPSR1GRM5ADORA3
SCHEMBL2720194 0.80 NPC1 (0.34)
SCHEMBL8548870 0.79 NPSR1 (0.33) CYP11B1CYP11B2NPSR1GRM5ADORA3
SCHEMBL3500675 0.75 CYP11B1 (0.33) CYP11B1CYP11B2NPSR1
SCHEMBL5447440 0.75 CYP19A1 (0.36) CYP11B1CYP11B2NPSR1ADORA3
SCHEMBL5326782 0.75 BRD4 (0.32) CYP11B1CYP11B2NPSR1ADORA3
SCHEMBL8006029 0.75 P2RX7 (0.37) CYP11B1CYP11B2
SCHEMBL8022922 0.75 NOTUM (0.36) CYP11B1CYP11B2ADORA2A
SCHEMBL7588677 0.75 PTGS1 (0.41) CYP11B1CYP11B2
SCHEMBL20843905 0.72

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 CYP11B1 234/4885CYP11B2 151/4885NPSR1 753/4885
US-20100004305-A1 NAPHTHYLMETHYLIMIDIZOLES AS THERAPEUTIC AGENTS ALPI, ALPP, NCL CYP11B1 198/4885CYP11B2 121/4885NPSR1 2804/4885

“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.