SCHEMBL34740

SCHEMBL34740

N#COc1cccc2c(N=C=O)cccc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.43
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ABCB11 O95342 1/20 0.33
NR3C1 P04150 1/20 0.33
CYP1A2 P05177 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ALOX15 P16050 1/20 0.33
ADRA2C P18825 1/20 0.33
MAOA P21397 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR2B P41595 1/20 0.33
CCR2 P41597 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GABRA1 P14867 1/20 0.30
GABRB2 P47870 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
SCHEMBL25954586 0.82 CYP3A4 (0.44) CYP3A4ALDH1A1HPGDTDP1
SCHEMBL34824 0.80 CYP3A4 (0.61) CYP3A4ALDH1A1HPGDTDP1GABRA1
SCHEMBL29397402 0.80 IMPDH2 (0.38) ALDH1A1
SCHEMBL3423696 0.80 IMPDH2 (0.38) ALDH1A1
SCHEMBL22210 0.80 CYP3A4 (0.62) CYP3A4ALDH1A1HPGDTDP1ABCB11
SCHEMBL29370250 0.80 CYP3A4 (0.62) CYP3A4ALDH1A1HPGDTDP1ABCB11
SCHEMBL12910997 0.78 ALDH1A1 (0.39) ALDH1A1TDP1HSD17B10
SCHEMBL331102 0.78 CYP3A4 (0.44) CYP3A4ALDH1A1HPGDTDP1MAOA
SCHEMBL28831497 0.74 CYP3A4 (0.56) CYP3A4ALDH1A1HPGDTDP1ABCB11
SCHEMBL300907 0.74 CYP3A4 (0.47) CYP3A4ALDH1A1HPGDTDP1ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11746083-B2 Compound, resin composition and laminated substrate thereof INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2023-09-05 US disclosed
US-9527956-B2 Modified phosphorus-containing unsaturated polyester ETERNAL MATERIALS CO., LTD. (TW) 2016-12-27 US disclosed
US-9304416-B2 Electrophotographic photosensitive member, method of producing electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2016-04-05 US disclosed
US-9287563-B2 Electrode for lithium secondary battery and lithium secondary battery including the same SAMSUNG SDI CO., LTD. (KR) 2016-03-15 US disclosed
US-9178218-B2 Hyper-branched polymer, electrode and electrolyte membrane including the hyper-branched polymer, and fuel cell including at least one of the electrode and the electrolyte membrane SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-11-03 US disclosed
US-20150291732-A1 MODIFIED PHOSPHORUS-CONTAINING UNSATURATED POLYESTER ETERNAL MATERIALS CO., LTD. (TW) 2015-10-15 US disclosed
US-20150185635-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, METHOD OF PRODUCING ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2015-07-02 US disclosed
US-8802318-B2 Compound and composition including compound, with fuel cell, fuel cell electrode and fuel cell electrolyte membrane using same SAMSUNG ELECTRONICS CO., LTD. (KR) 2014-08-12 US disclosed
US-20140066538-A1 INK COMPOSITION, IMAGE FORMING METHOD, AND PRINTED MATTER FUJIFILM CORPORATION (JP) 2014-03-06 US disclosed
US-20140022299-A1 INK COMPOSITION AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2014-01-23 US disclosed
US-20120189915-A1 ELECTRODE FOR LITHIUM SECONDARY BATTERY AND LITHIUM SECONDARY BATTERY INCLUDING THE SAME SAMSUNG SDI CO., LTD. (KR) 2012-07-26 US disclosed
US-20110281200-A1 COMPOUND AND COMPOSITION INCLUDING COMPOUND, WITH FUEL CELL, FUEL CELL ELECTRODE AND FUEL CELL ELECTROLYTE MEMBRANE USING SAME SNU R&DB FOUNDATION (KR) 2011-11-17 US disclosed
US-20110195338-A1 HYPER-BRANCHED POLYMER, ELECTRODE AND ELECTROLYTE MEMBRANE INCLUDING THE HYPER-BRANCHED POLYMER, AND FUEL CELL INCLUDING AT LEAST ONE OF THE ELECTRODE AND THE ELECTROLYTE MEMBRANE SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-08-11 US 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 (1 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-11746083-B2 Compound, resin composition and laminated substrate thereof ALOX12, ALOX15, ALOX5 CYP3A4 184/4885ALDH1A1 169/4885HPGD 3370/4885

“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.