SCHEMBL3333505

SCHEMBL3333505

Cc1c(N=C=O)ccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.57
TSHR P16473 4/20 0.48
CYP2A6 P11509 3/20 0.48
CYP1A2 P05177 3/20 0.48
HPGD P15428 5/20 0.40
HSD17B10 Q99714 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
RAB9A P51151 2/20 0.40
HIF1A Q16665 2/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 6/20 0.39
TDP1 Q9NUW8 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
ABCB11 O95342 1/20 0.39
NR3C1 P04150 1/20 0.39

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
SCHEMBL17787466 0.81 ALDH1A1 (0.42) CYP3A4TSHRCYP2A6CYP1A2HPGD
SCHEMBL29642615 0.81 ALDH1A1 (0.42) CYP3A4TSHRCYP2A6CYP1A2HPGD
SCHEMBL28535587 0.80 CYP3A4 (0.50) CYP3A4TSHRCYP2A6CYP1A2HPGD
SCHEMBL38584 0.79 TDP1 (0.41) CYP3A4TSHRCYP2A6CYP1A2HPGD
SCHEMBL29500990 0.79 TDP1 (0.41) CYP3A4TSHRCYP2A6CYP1A2HPGD
SCHEMBL995429 0.79 CYP3A4 (0.56) CYP3A4TSHRCYP1A2HPGDL3MBTL1
SCHEMBL14118175 0.79 TSHR (0.54) CYP3A4TSHRCYP2A6CYP1A2HPGD
SCHEMBL11722688 0.78 POLB (0.46) CYP3A4TSHRCYP2A6CYP1A2HPGD
SCHEMBL11716452 0.77 CYP3A4 (0.39) CYP3A4TSHRCYP2A6CYP1A2HPGD
SCHEMBL3338003 0.77 NCEH1 (0.42) CYP3A4TSHRCYP2A6CYP1A2HPGD

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-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
CN-1192251-C Extended wear ophthalmic lens NOVARTIS AG (CH) 2005-03-09 CN disclosed
CN-1180416-A Extended wear ophthalmic lenses CIBA GEIGY AG (CH) 1998-04-29 CN 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 CYP3A4 795/4885TSHR 414/4885CYP2A6 577/4885
US-20100144698-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD CYP3A4 795/4885TSHR 414/4885CYP2A6 577/4885
US-20090143351-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD CYP3A4 795/4885TSHR 414/4885CYP2A6 577/4885

“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.