SCHEMBL305604

SCHEMBL305604

O=c1occc2c([N+](=O)[O-])cccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.64
ALDH1A1 P00352 6/20 0.52
GAA P10253 2/20 0.49
KMT2A Q03164 4/20 0.48
POLB P06746 2/20 0.48
ATM Q13315 1/20 0.48
MEN1 O00255 3/20 0.47
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
CTSB P07858 3/20 0.44
PARP1 P09874 1/20 0.42
MAPT P10636 1/20 0.42
GPR35 Q9HC97 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
S100A4 P26447 1/20 0.42
KDM4E B2RXH2 1/20 0.41
AR P10275 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL57166 0.80 TDP1 (1.00) TDP1ALDH1A1GAAPOLBNCOA1
SCHEMBL29475175 0.80 TDP1 (1.00) TDP1ALDH1A1GAAPOLBNCOA1
SCHEMBL28093598 0.78 TDP1 (0.95) TDP1ALDH1A1GAAKMT2APOLB
SCHEMBL663238 0.78 TDP1 (0.57) TDP1ALDH1A1GAAKMT2APOLB
SCHEMBL3360865 0.75 TDP1 (0.46) TDP1ALDH1A1KMT2AMEN1MAPT
SCHEMBL31399720 0.75 TDP1 (0.40) TDP1ALDH1A1GAAKMT2APOLB
SCHEMBL15814452 0.75 S100A4 (0.44) TDP1ALDH1A1KMT2AMEN1CTSB
Methyl Alcohol SCHEMBL28304524 0.74 TDP1 (0.86) TDP1ALDH1A1GAAPOLBNCOA1
SCHEMBL31290996 0.74 GPR35 (0.52) TDP1ALDH1A1GAAKMT2APOLB
SCHEMBL19606518 0.74 TYMS (0.47) TDP1ALDH1A1GAAKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12590066-B2 Fused-heterocyclyl-carbonohydrazonoyl dicyanide compounds and use thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2026-03-31 US disclosed
US-20250127903-A1 SUBSTITUTED PIPERIDINE DEGRONIMERS FOR TARGET PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2025-04-24 US disclosed
US-12048747-B2 Substituted piperidine Degronimers for Target Protein degradation C4 THERAPEUTICS, INC. (US) 2024-07-30 US disclosed
US-20230295095-A1 NOVEL FUSED-HETEROCYCLYL-CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2023-09-21 US disclosed
CN-110621664-B Novel piperidine-2, 6-dione derivatives and uses thereof 韩国化学研究院 2023-08-01 CN disclosed
EP-4169905-A1 NOVEL FUSED HETEROCYCLIC CARBONOHYDRAZONOYL DICYANIDE COMPOUND AND USE THEREOF Korea Institute of Science and Technology (KR) 2023-04-26 EP disclosed
CN-115867277-A Novel fused heterocyclyl-carbohydrazone acyldinitrile compounds and use thereof 韩国科学技术研究院 2023-03-28 CN disclosed
US-20220313827-A1 SUBSTITUTED PIPERIDINE DEGRONIMERS FOR TARGET PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2022-10-06 US disclosed
EP-3623366-B9 NOVEL PIPERIDINE-2,6-DIONE DERIVATIVE AND USE THEREOF KOREA RES INST CHEMICAL TECH (KR) 2022-06-15 EP disclosed
EP-3623366-B1 NOVEL PIPERIDINE-2,6-DIONE DERIVATIVE AND USE THEREOF KOREA RES INST CHEMICAL TECH (KR) 2022-01-19 EP disclosed
US-20050165050-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2005-07-28 US disclosed
US-20050131226-A1 Rearranged pentanols, a process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2005-06-16 US disclosed
US-6897224-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2005-05-24 US disclosed
WO-2005035518-A1 REARRANGED PENTANOLS, A METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AKTIENGESELLSCHAFT (DE) 2005-04-21 WO disclosed
WO-2005034939-A1 1-AMINO-2-OXY-SUBSTITUTED TETRAHYDRONAPHTALENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AKTIENGESELLSCHAFT (DE) 2005-04-21 WO disclosed
EP-1492771-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-01-05 EP disclosed
US-20040180874-A1 Substituted tetrahydroisoquinolines and uses thereof ROCHE PALO ALTO LLC 2004-09-16 US disclosed
WO-2004078176-A1 2,5- AND 2,6-SUBSTITUTED TETRAHYDROISOQUINOLINES FOR USE AS 5-HT6 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-16 WO disclosed
US-20040116694-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2004-06-17 US disclosed
WO-2003082827-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-09 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 (8 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-20040180874-A1 Substituted tetrahydroisoquinolines and uses thereof CYP3A5, CYP4X1, UGT1A1 TDP1 1042/4885ALDH1A1 570/4885GAA 2272/4885
US-20250127903-A1 SUBSTITUTED PIPERIDINE DEGRONIMERS FOR TARGET PROTEIN DEGRADATION STUB1, UBE3C, NEDD4 TDP1 3546/4885ALDH1A1 2429/4885GAA 815/4885
US-12590066-B2 Fused-heterocyclyl-carbonohydrazonoyl dicyanide compounds and use thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR1, CLIC1 TDP1 2103/4885ALDH1A1 592/4885GAA 3006/4885
US-20050131226-A1 Rearranged pentanols, a process for their production and their use as anti-inflammatory agents TNF, PTGES, PTGES2 TDP1 3643/4885ALDH1A1 233/4885GAA 3752/4885
US-20050165050-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors NFKBIA, IL1B, IRF3 TDP1 3228/4885ALDH1A1 1538/4885GAA 2173/4885
US-20230295095-A1 NOVEL FUSED-HETEROCYCLYL-CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS AND USE THEREOF CBR3, DBF4, DDT TDP1 2868/4885ALDH1A1 1343/4885GAA 2829/4885
US-20220313827-A1 SUBSTITUTED PIPERIDINE DEGRONIMERS FOR TARGET PROTEIN DEGRADATION STUB1, UBE3C, NEDD4 TDP1 3546/4885ALDH1A1 2429/4885GAA 815/4885
US-12048747-B2 Substituted piperidine Degronimers for Target Protein degradation GID4, RNF5, UBE3C TDP1 3906/4885ALDH1A1 1488/4885GAA 1042/4885

“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.