SCHEMBL3073008

SCHEMBL3073008

Nc1cccc2c1[nH]c1c(N)cccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.65
TDP1 Q9NUW8 3/20 0.55
POLB P06746 2/20 0.55
ALDH1A1 P00352 4/20 0.55
CYP3A4 P08684 4/20 0.55
TSHR P16473 3/20 0.55
HPGD P15428 3/20 0.55
HSD17B10 Q99714 2/20 0.55
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 2/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53
KMT2A Q03164 2/20 0.53
BLM P54132 1/20 0.53
MCL1 Q07820 1/20 0.53
KEAP1 Q14145 1/20 0.46
NR4A2 P43354 1/20 0.42
IMPDH2 P12268 1/20 0.41
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL30983620 1.00 PARP1 (0.65) PARP1TDP1POLBALDH1A1CYP3A4
SCHEMBL8135213 0.87 PARP1 (0.53) PARP1TDP1POLBALDH1A1CYP3A4
SCHEMBL194195 0.84 TDP1 (0.72) PARP1TDP1POLBALDH1A1CYP3A4
SCHEMBL29352370 0.84 TDP1 (0.72) PARP1TDP1POLBALDH1A1CYP3A4
SCHEMBL24045991 0.83 PARP1 (0.50) PARP1TDP1POLBALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL5254930 0.82 TDP1 (0.70) PARP1TDP1POLBALDH1A1CYP3A4
SCHEMBL17950657 0.82 KDM4E (0.81) PARP1TDP1POLBALDH1A1CYP3A4
SCHEMBL2678409 0.77 MAPT (0.55) PARP1TDP1POLBALDH1A1CYP3A4
SCHEMBL5914556 0.77 POLB (0.50) PARP1TDP1POLBALDH1A1CYP3A4
SCHEMBL5914552 0.77 PARP1 (0.54) PARP1TDP1POLBALDH1A1CYP3A4

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100343740-C Aligning agent for liquid crystal and liquid-crystal display element NISSAN CHEMICAL IND LTD (JP) 2007-10-17 CN claimed
CN-118112079-A Molecularly imprinted electrochemical sensor for detecting fat-soluble vitamins and application thereof 中芯维康医疗科技(重庆)有限责任公司 2024-05-31 CN disclosed
US-11424413-B2 Electroluminesecent material, method for manufacturing same, and luminesecent device Wuhan China Star Optoelectronics Semiconductor Display Technology Co, Ltd. (CN) 2022-08-23 US disclosed
US-20210408388-A1 ELECTROLUMINESECENT MATERIAL, METHOD FOR MANUFACTRUING SAME, AND LUMINESECENT DEVICE WUHAN CHINA STAR OPTOELECTRONICS SEMICONDUCTOR DISPLAY TECHNOLOGY CO., LTD. (CN) 2021-12-30 US disclosed
US-20210363417-A1 ELECTROLUMINESECENT MATERIAL, METHOD FOR MANUFACTURING SAME, AND LUMINESECENT DEVICE WUHAN CHINA STAR OPTOELECTRONICS SEMICONDUCTOR DISPLAY TECHNOLOGY CO., LTD. (CN) 2021-11-25 US disclosed
US-9893299-B2 Heterocyclic compounds MERCK PATENT GMBH (DE) 2018-02-13 US disclosed
US-9893299-B2 Heterocyclic compounds MERCK PATENT GMBH (DE) 2018-02-13 US disclosed
US-20160226003-A1 HETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2016-08-04 US disclosed
US-20160226003-A1 HETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2016-08-04 US disclosed
WO-2015036078-A1 HETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2015-03-19 WO disclosed
WO-2004065305-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE UNIVERSITY OF DAYTON (US) 2004-08-05 WO disclosed
US-20040104377-A1 Non-toxic corrosion-protection pigments based on rare earth elements UNIVERSITY OF DAYTON 2004-06-03 US disclosed
US-20040020568-A1 Non-toxic corrosion-protection conversion coats based on rare earth elements DAYTON, UNIVERSITY OF 2004-02-05 US disclosed
US-20040016363-A1 CORROSION-INHIBITING COATING VENTURE LENDING & LEASING, IV, INC. 2004-01-29 US disclosed
US-20040016910-A1 Non-toxic corrosion-protection rinses and seals based on rare earth elements DAYTON, UNIVERSITY OF 2004-01-29 US disclosed
US-20040011252-A1 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON 2004-01-22 US disclosed
US-20030234063-A1 Non-toxic corrosion-protection conversion coats based on cobalt DAYTON, UNIVERSITY OF 2003-12-25 US disclosed
US-20030230363-A1 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON 2003-12-18 US disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 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-20160226003-A1 HETEROCYCLIC COMPOUNDS ERCC1, VDAC2, NES PARP1 584/4885TDP1 1967/4885POLB 2328/4885
US-20210408388-A1 ELECTROLUMINESECENT MATERIAL, METHOD FOR MANUFACTRUING SAME, AND LUMINESECENT DEVICE NLRP1, ESD, CYBA PARP1 669/4885TDP1 2956/4885POLB 4272/4885
US-11424413-B2 Electroluminesecent material, method for manufacturing same, and luminesecent device FARS2, CD99, CYBA PARP1 479/4885TDP1 3210/4885POLB 3647/4885

“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.