SCHEMBL4738313

SCHEMBL4738313

O=C1Nc2c(Br)cc(Br)cc2C1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.67
ALDH2 P05091 1/20 0.67
ALDH3A1 P30838 1/20 0.67
CES1 P23141 9/20 0.50
TGM2 P21980 2/20 0.50
DNMT1 P26358 1/20 0.46
BCHE P06276 2/20 0.43
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA7 P43166 1/20 0.40
DAO P14920 2/20 0.37
NSD2 O96028 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
S100A4 P26447 1/20 0.35
CASP3 P42574 1/20 0.34

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
SCHEMBL29870149 1.00 ALDH1A1 (0.67) ALDH1A1ALDH2ALDH3A1CES1TGM2
SCHEMBL21197529 0.83 ALDH1A1 (0.47) ALDH1A1ALDH2ALDH3A1CES1TGM2
SCHEMBL11921145 0.83 ALDH1A1 (0.47) ALDH1A1ALDH2ALDH3A1CES1TGM2
SCHEMBL2372881 0.80 CES1 (0.68) ALDH1A1ALDH2ALDH3A1CES1TGM2
SCHEMBL31049292 0.80 TGM2 (0.67) ALDH1A1ALDH2ALDH3A1CES1TGM2
SCHEMBL24619205 0.80 TGM2 (0.67) ALDH1A1ALDH2ALDH3A1CES1TGM2
SCHEMBL3737904 0.80 CES1 (0.62) ALDH1A1ALDH2ALDH3A1CES1TGM2
SCHEMBL12069195 0.80 TGM2 (0.67) ALDH1A1ALDH2ALDH3A1CES1TGM2
SCHEMBL30762569 0.80 CES1 (0.68) ALDH1A1ALDH2ALDH3A1CES1TGM2
SCHEMBL30762476 0.80 ALDH1A1 (1.00) ALDH1A1ALDH2ALDH3A1CES1TGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117486780-A 1-benzyl isatin derivative and preparation method and application thereof 武汉大学人民医院(湖北省人民医院) 2024-02-02 CN claimed
US-12616678-B2 Methods to of aldehyde dehydrogenases for treatment of cancer THE PENN STATE RESEARCH FOUNDATION (PA) 2026-05-05 US disclosed
US-20250387367-A1 METHODS AND COMPOSITIONS RELATING TO INHIBITION OF ALDEHYDE DEHYDROGENASES FOR TREATMENT OF CANCER PENN STATE RES FOUND (US) 2025-12-25 US disclosed
CN-118125961-A 1- (4-Trifluoromethyl-benzyl) -isatin derivative and preparation method and application thereof 武汉大学人民医院(湖北省人民医院) 2024-06-04 CN disclosed
CN-117658981-A Isatin derivative, pharmaceutically acceptable salt, pharmaceutical composition and application 武汉大学人民医院(湖北省人民医院) 2024-03-08 CN disclosed
CN-117486780-A 1-benzyl isatin derivative and preparation method and application thereof 武汉大学人民医院(湖北省人民医院) 2024-02-02 CN disclosed
US-20230301965-A1 METHODS AND COMPOSITIONS RELATING TO INHIBITION OF ALDEHYDE DEHYDROGENASES FOR TREATMENT OF CANCER THE PENN STATE RESEARCH FOUNDATION 2023-09-28 US disclosed
US-20230301965-A1 METHODS AND COMPOSITIONS RELATING TO INHIBITION OF ALDEHYDE DEHYDROGENASES FOR TREATMENT OF CANCER THE PENN STATE RESEARCH FOUNDATION 2023-09-28 US disclosed
US-20220267329-A1 Dihydro-Spiro[Indoline-3:1'-Isoquinolin]-2-Ones and Their Analogues and Derivatives and Methods of Treating Cancer and Other Diseases THE UNIV OF BUEA (CM) 2022-08-25 US disclosed
US-20220175723-A1 METHODS AND COMPOSITIONS RELATING TO INHIBITION OF ALDEHYDE DEHYDROGENASES FOR TREATMENT OF CANCER THE PENN STATE RESEARCH FOUNDATION 2022-06-09 US disclosed
CN-102653521-B Piperazine thiocarbohydrazide derivate of indole-2-ketone and preparation method and application of piperazine thiocarbohydrazide derivate UNIV CAPITAL NORMAL 2014-08-06 CN disclosed
CN-102464603-B Isatin derivative and application thereof in preparation of medicines for resisting super-drug-resistance bacteria UNIV NANKAI 2013-08-14 CN disclosed
CN-102464603-A Isatin derivative and application thereof in preparation of medicines for resisting super-drug-resistance bacteria UNIV NANKAI 2012-05-23 CN disclosed
WO-2008074078-A1 SELECTIVELY DELIVERABLE ISATIN-BASED CYTOTOXIC AGENTS UNIVERSITY OF WOLLONGONG (AU) 2008-06-26 WO disclosed
WO-2008074078-A1 SELECTIVELY DELIVERABLE ISATIN-BASED CYTOTOXIC AGENTS UNIVERSITY OF WOLLONGONG (AU) 2008-06-26 WO disclosed
US-20030121113-A1 Oxobenzofuranylide-dihydroindolone NESVADBA PETER (CH) 2003-07-03 US disclosed
US-6503937-B1 Coloring agents for high molecular weight materials such as polymers CIBA SPECIALTY CHEMICALS CORPORATION 2003-01-07 US disclosed
US-20020028936-A1 1,3-disubstituted indolin-2-ones for neoplasia OSI PHARMACEUTICALS, INC. 2002-03-07 US disclosed
US-4436810-A Color-photographic recording material containing non-diffusing electron donor precursor compounds AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1984-03-13 US disclosed
US-4185009-A Branched, high-molecular weight thermoplastic polycarbonates BAYER AKTIENGESELLSCHAFT (DE) 1980-01-22 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 (7 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-20250387367-A1 METHODS AND COMPOSITIONS RELATING TO INHIBITION OF ALDEHYDE DEHYDROGENASES FOR TREATMENT OF CANCER ALDH3A1, ALDH2, ADH1C ALDH1A1 4/4885ALDH2 2/4885ALDH3A1 1/4885
US-20220175723-A1 METHODS AND COMPOSITIONS RELATING TO INHIBITION OF ALDEHYDE DEHYDROGENASES FOR TREATMENT OF CANCER DPYD, ALDH2, DLD ALDH1A1 6/4885ALDH2 2/4885ALDH3A1 4/4885
US-20030121113-A1 Oxobenzofuranylide-dihydroindolone CYP1B1, CYP1A1, ECI1 ALDH1A1 225/4885ALDH2 808/4885ALDH3A1 538/4885
US-12616678-B2 Methods to of aldehyde dehydrogenases for treatment of cancer ALDH1A1, ALDH3A1, ADH1C ALDH1A1 1/4885ALDH2 4/4885ALDH3A1 2/4885
US-20020028936-A1 1,3-disubstituted indolin-2-ones for neoplasia TP53, MYC, VHL ALDH1A1 215/4885ALDH2 1569/4885ALDH3A1 561/4885
US-20220267329-A1 Dihydro-Spiro[Indoline-3:1'-Isoquinolin]-2-Ones and Their Analogues and Derivatives and Methods of Treating Cancer and Other Diseases S1PR3, S1PR1, S1PR2 ALDH1A1 1086/4885ALDH2 1083/4885ALDH3A1 796/4885
US-20230301965-A1 METHODS AND COMPOSITIONS RELATING TO INHIBITION OF ALDEHYDE DEHYDROGENASES FOR TREATMENT OF CANCER DPYD, ALDH2, DLD ALDH1A1 6/4885ALDH2 2/4885ALDH3A1 4/4885

“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.