SCHEMBL309983

SCHEMBL309983

COc1cc(Br)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
TDP1 Q9NUW8 3/20 0.56
LMNA P02545 1/20 0.54
SIRT6 Q8N6T7 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
ABCB1 P08183 1/20 0.48
ABCC1 P33527 1/20 0.48
EGFR P00533 1/20 0.47
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
PRKDC P78527 1/20 0.46
HSD17B10 Q99714 1/20 0.46
S100A4 P26447 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
CHEK1 O14757 2/20 0.45
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL29791349 1.00 ALDH1A1 (0.56) ALDH1A1TDP1LMNASIRT6L3MBTL1
SCHEMBL30578620 0.88 ALDH1A1 (0.43) ALDH1A1TDP1LMNASIRT6L3MBTL1
SCHEMBL30184611 0.88 ALDH1A1 (0.43) ALDH1A1TDP1LMNASIRT6L3MBTL1
SCHEMBL311157 0.85 ALDH1A1 (0.56) ALDH1A1TDP1LMNAABCB1ABCC1
SCHEMBL30193867 0.85 ALDH1A1 (0.56) ALDH1A1TDP1LMNAABCB1ABCC1
SCHEMBL1298919 0.84 MERTK (0.49) ALDH1A1TDP1LMNAL3MBTL1MAPT
SCHEMBL205073 0.83 S100A4 (0.51) ALDH1A1TDP1LMNAL3MBTL1ABCB1
SCHEMBL22897608 0.82 MAPT (0.42) ALDH1A1TDP1LMNASIRT6L3MBTL1
SCHEMBL47017 0.82 L3MBTL1 (0.55) ALDH1A1TDP1LMNAL3MBTL1ABCB1
SCHEMBL11224598 0.81 CHEK1 (0.61) ALDH1A1TDP1LMNASIRT6L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4635942-A1 QUINOLINE DERIVATIVE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF Jiangsu Carephar Pharmaceutical Co., Ltd (CN) 2025-10-22 EP disclosed
US-20250257070-A1 NOVEL SULFONAMIDE DERIVATIVE WITH FUSED PYRIMIDINE SKELETON, HAVING EPIDERMAL GROWTH FACTOR RECEPTOR MUTATION INHIBITORY EFFECT HANMI PHARM. CO., LTD. (KR) 2025-08-14 US disclosed
US-12319695-B2 Sulfonamide derivative with fused pyrimidine skeleton, having epidermal growth factor receptor mutation inhibitory effect HANMI PHARM. CO., LTD. (KR) 2025-06-03 US disclosed
CN-119968361-A Compounds targeting p 53Y 220 mutants 北京加科思新药研发有限公司 2025-05-09 CN disclosed
WO-2025082353-A1 POLYMORPHIC FORMS OF THE COMPOUNDS TARGETING MUTANT OF P53 AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2025-04-24 WO disclosed
US-20250026722-A1 SUBSTITUTED QUINOLINES AS IMPROVED NF-KB-INDUCING KINASE (NIK) INHIBITORS Université Côte d’Azur (FR) 2025-01-23 US disclosed
US-20240400591-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-12-05 US disclosed
WO-2024152743-A1 QUINOLINE DERIVATIVE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏柯菲平医药股份有限公司 2024-07-25 WO disclosed
CN-118373771-A Quinoline derivative compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof 江苏柯菲平医药股份有限公司 2024-07-23 CN disclosed
EP-4399202-A1 SUBSTITUTED QUINOLINES AS IMPROVED NF-KB-INDUCING KINASE (NIK) INHIBITORS Yukin Therapeutics (FR) 2024-07-17 EP disclosed
US-20030100560-A1 Heterocyclic cytotoxic agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2003-05-29 US disclosed
EP-1089735-A4 4-BENZYL PIPERIDINE ALKYLSULFOXIDE HETEROCYCLES AND THEIR USE AS SUBTYPE-SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2002-12-18 EP disclosed
US-20020156098-A1 Reversed amidines and methods of using for treating, preventing, or inhibiting leishmaniasis ARMY, UNITED STATES 2002-10-24 US disclosed
EP-1228045-A2 HETEROCYCLIC CYTOTOXIC AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2002-08-07 EP disclosed
WO-2002036588-A2 REVERSED AMIDINES AND METHODS OF USING FOR TREATING, PREVENTING, OR INHIBITING LEISHMANIASIS U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND (US) 2002-05-10 WO disclosed
US-6284774-B1 NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS WARNER-LAMBERT COMPANY 2001-09-04 US disclosed
CN-1304307-A 4-benzyl piperidine alkylsulfoxide heterocycles and their use as subtype-selective NMDA receptor antagonists WARNER LAMBER CO (US) 2001-07-18 CN disclosed
WO-2001032631-A2 HETEROCYCLIC CYTOTOXIC AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JEREY (US) 2001-05-10 WO disclosed
EP-1089735-A1 4-BENZYL PIPERIDINE ALKYLSULFOXIDE HETEROCYCLES AND THEIR USE AS SUBTYPE-SELECTIVE NMDA RECEPTOR ANTAGONISTS Warner-Lambert Company LLC (US) 2001-04-11 EP disclosed
WO-2000000197-A1 4-BENZYL PIPERIDINE ALKYLSULFOXIDE HETEROCYCLES AND THEIR USE AS SUBTYPE-SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-01-06 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 (6 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-20250026722-A1 SUBSTITUTED QUINOLINES AS IMPROVED NF-KB-INDUCING KINASE (NIK) INHIBITORS NFKBIA, IKBKG, IKBKB ALDH1A1 4682/4885TDP1 2063/4885LMNA 1610/4885
US-12319695-B2 Sulfonamide derivative with fused pyrimidine skeleton, having epidermal growth factor receptor mutation inhibitory effect EGFR, FGFR1, FGFR3 ALDH1A1 3515/4885TDP1 2481/4885LMNA 4573/4885
US-20250257070-A1 NOVEL SULFONAMIDE DERIVATIVE WITH FUSED PYRIMIDINE SKELETON, HAVING EPIDERMAL GROWTH FACTOR RECEPTOR MUTATION INHIBITORY EFFECT EGFR, FGFR1, FGFR3 ALDH1A1 3055/4885TDP1 2738/4885LMNA 4590/4885
US-20240400591-A1 COMPOUNDS TARGETING MUTANT OF P53 TP53, TP53BP1, MDM2 ALDH1A1 2527/4885TDP1 412/4885LMNA 922/4885
US-20030100560-A1 Heterocyclic cytotoxic agents CCNA1, CCNE1, MCL1 ALDH1A1 114/4885TDP1 563/4885LMNA 1211/4885
US-20020156098-A1 Reversed amidines and methods of using for treating, preventing, or inhibiting leishmaniasis ARG1, NAT1, CTSA ALDH1A1 3016/4885TDP1 1890/4885LMNA 515/4885

“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.