SCHEMBL3193192

SCHEMBL3193192

O=[N+]([O-])c1cccc2c(Cl)cccc12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.75
ALDH1A1 P00352 7/20 0.59
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
KDM4E B2RXH2 1/20 0.59
CYP1A2 P05177 1/20 0.54
CYP2A6 P11509 1/20 0.54
POLB P06746 2/20 0.50
CTSB P07858 1/20 0.50
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
GPR35 Q9HC97 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ATM Q13315 1/20 0.45
NOS1 P29475 1/20 0.44

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
SCHEMBL1379532 0.88 TDP1 (0.61) TDP1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL57166 0.87 TDP1 (1.00) TDP1ALDH1A1POLBCTSBNCOA1
SCHEMBL29475175 0.87 TDP1 (1.00) TDP1ALDH1A1POLBCTSBNCOA1
SCHEMBL28093598 0.84 TDP1 (0.95) TDP1ALDH1A1KMT2AMEN1POLB
Methyl Alcohol SCHEMBL28304524 0.80 TDP1 (0.86) TDP1ALDH1A1POLBCTSBNCOA1
SCHEMBL5071420 0.80 TDP1 (0.57) TDP1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL9078242 0.80 TDP1 (0.57) TDP1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL11722245 0.80 TDP1 (0.62) TDP1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL4871313 0.79 TDP1 (0.61) TDP1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL25561358 0.79 S100A4 (0.56) TDP1ALDH1A1KMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100410256-C Optical diamine monomer containing di-dehydrated-hexitol unit and process for preparing same UNIV TSINGHUA (CN) 2008-08-13 CN claimed
CN-1320031-C Polyamide containing isosorbide unit and process for preparing same UNIV TSINGHUA (CN) 2007-06-06 CN claimed
CN-1702071-A Optical diamine monomer containing di-dehydrated-hexitol unit and process for preparing same UNIV TSINGHUA (CN) 2005-11-30 CN claimed
CN-1702097-A Optical polyimide containing isosorbide unit and process for preparing same UNIV TSINGHUA (CN) 2005-11-30 CN claimed
CN-1702095-A Polyamide containing isosorbide unit and process for preparing same UNIV TSINGHUA (CN) 2005-11-30 CN claimed
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-11-09 US disclosed
US-20230242544-A1 QUINAZOLINE COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-08-03 US disclosed
CN-113754598-B Diamine and polyimide containing cyclic peptide structure and preparation method thereof 四川大学 2023-06-06 CN disclosed
CN-113754598-A Diamine containing cyclopeptide structure, polyimide and preparation method thereof 四川大学 2021-12-07 CN disclosed
CN-106432240-B The polyimides and preparation method thereof of aromatic diamine of the structure containing adenine and preparation method thereof and the structure containing adenine 四川大学 2018-11-09 CN disclosed
CN-106432240-A Aromatic diamine containing adenine structure, preparation method of aromatic diamine, polyimide containing adenine structure and preparation method of polyimide 四川大学 2017-02-22 CN disclosed
US-7655689-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 US disclosed
US-20040077605-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 US disclosed
WO-2003062241-A1 FUSED HETEROCYCLIC SUCCINIMIDECOMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-31 WO disclosed
EP-1319007-A1 FUSED HETEROCYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2003-06-18 EP disclosed
WO-2002024702-A1 FUSED HETEROCYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2002-03-28 WO disclosed
US-5453495-A Disazo compounds containing an optionally substituted piperazinyl group ZENECA LIMITED (GB) 1995-09-26 US disclosed
WO-1995017471-A1 DISAZO COMPOUND ZENECA LIMITED (GB) 1995-06-29 WO disclosed
WO-1995017472-A1 DISAZO COMPOUND ZENECA LIMITED (GB) 1995-06-29 WO disclosed
CN-87102669-A Fiberboard and manufacture method thereof 1987-12-30 CN 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-20040077605-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 TDP1 4323/4885ALDH1A1 3219/4885KMT2A 1432/4885
US-20230242544-A1 QUINAZOLINE COMPOUNDS, PREPARATION METHODS AND USES THEREOF KRAS, NRAS, HRAS TDP1 2833/4885ALDH1A1 1817/4885KMT2A 1113/4885
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF KRAS, NRAS, HRAS TDP1 4075/4885ALDH1A1 1158/4885KMT2A 1189/4885

“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.