SCHEMBL3338003

SCHEMBL3338003

CCc1c(N=C=O)ccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 2/20 0.42
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
TDP1 Q9NUW8 5/20 0.39
KDM4E B2RXH2 5/20 0.39
MAPT P10636 4/20 0.39
CYP3A4 P08684 2/20 0.39
ALDH1A1 P00352 6/20 0.38
KMT2A Q03164 5/20 0.38
GAA P10253 4/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 4/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HPGD P15428 2/20 0.36
ABCB11 O95342 1/20 0.36
NR3C1 P04150 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL17779747 0.82 GABRA1 (0.44) GABRA1GABRB2TDP1CYP3A4ALDH1A1
SCHEMBL112107 0.80 GABRA1 (0.48) GABRA1GABRB2TDP1CYP3A4ALDH1A1
SCHEMBL3333505 0.77 CYP3A4 (0.57) NCEH1TDP1KDM4EMAPTCYP3A4
SCHEMBL29642615 0.77 ALDH1A1 (0.42) TDP1KDM4EMAPTCYP3A4ALDH1A1
SCHEMBL17787466 0.77 ALDH1A1 (0.42) TDP1KDM4EMAPTCYP3A4ALDH1A1
SCHEMBL38584 0.75 TDP1 (0.41) GABRA1GABRB2TDP1KDM4EMAPT
SCHEMBL29500990 0.75 TDP1 (0.41) GABRA1GABRB2TDP1KDM4EMAPT
SCHEMBL9472282 0.75 GABRA1 (0.59) GABRA1GABRB2TDP1ALDH1A1HSD17B10
SCHEMBL11722688 0.74 POLB (0.46) NCEH1TDP1MAPTCYP3A4ALDH1A1
SCHEMBL11716452 0.73 CYP3A4 (0.39) TDP1CYP3A4ALDH1A1KMT2AHSD17B10

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 NCEH1 1630/4885GABRA1 3791/4885GABRB2 4014/4885
US-20100144698-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD NCEH1 1630/4885GABRA1 3791/4885GABRB2 4014/4885
US-20090143351-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD NCEH1 1630/4885GABRA1 3791/4885GABRB2 4014/4885

“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.