Alpha-Naphthylisocyanate

Alpha-Naphthylisocyanate

SCHEMBL3333508

C.O=C=Nc1cccc2ccccc12

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.62
ALDH1A1 P00352 5/20 0.62
CYP3A4 P08684 4/20 0.62
HSD17B10 Q99714 4/20 0.62
HPGD P15428 3/20 0.62
TDP1 Q9NUW8 2/20 0.62
ABCB11 O95342 1/20 0.62
NR3C1 P04150 1/20 0.62
ADRA2A P08913 1/20 0.62
ADORA3 P0DMS8 1/20 0.62
ALOX15 P16050 1/20 0.62
ADRA2C P18825 1/20 0.62
MAOA P21397 1/20 0.62
DRD1 P21728 1/20 0.62
SLC6A4 P31645 1/20 0.62
HTR2B P41595 1/20 0.62
CCR2 P41597 1/20 0.62
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
Alpha-Naphthylisocyanate SCHEMBL374 0.98 CYP1A2 (0.64) CYP1A2ALDH1A1CYP3A4HSD17B10HPGD
Alpha-Naphthylisocyanate SCHEMBL29400034 0.98 CYP1A2 (0.64) CYP1A2ALDH1A1CYP3A4HSD17B10HPGD
Alpha-Naphthylisocyanate SCHEMBL3338004 0.94 CYP1A2 (0.60) CYP1A2ALDH1A1CYP3A4HSD17B10HPGD
Alpha-Naphthylisocyanate SCHEMBL27296117 0.92 CYP1A2 (0.58) CYP1A2ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL22210 0.84 CYP3A4 (0.62) CYP1A2ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL29370250 0.84 CYP3A4 (0.62) CYP1A2ALDH1A1CYP3A4HSD17B10HPGD
Alpha-Naphthylisocyanate SCHEMBL11673586 0.83 CYP3A4 (0.49) CYP1A2ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL5971050 0.82 CYP3A4 (0.47) CYP1A2ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL9229488 0.81 CYP3A4 (0.54) CYP1A2ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL194924 0.80 CYP1A2 (0.69) CYP1A2ALDH1A1CYP3A4HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144698-A1 SUBSTITUTED AZETIDINONES DAIAMED (US) 2010-06-10 US disclosed
US-20090143351-A1 SUBSTITUTED AZETIDINONES DAIAMED (US) 2009-06-04 US disclosed
US-7501404-B2 Substituted azetidinones DAIMED (US) 2009-03-10 US disclosed
EP-1871741-A2 SUBSTITUTED AZETIDINONES Daiamed, Inc. (US) 2008-01-02 EP disclosed
US-20070105832-A1 Substituted azetidinones Cadrenal Therapeutics, Inc. 2007-05-10 US disclosed
WO-2006108039-A2 SUBSTITUTED AZETIDINONES DAIAMED, INC. (US) 2006-10-12 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 (3 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-20070105832-A1 Substituted azetidinones F2R, CPA3, CFD CYP1A2 707/4885ALDH1A1 2503/4885CYP3A4 795/4885
US-20100144698-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD CYP1A2 707/4885ALDH1A1 2503/4885CYP3A4 795/4885
US-20090143351-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD CYP1A2 707/4885ALDH1A1 2503/4885CYP3A4 795/4885

“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.