SCHEMBL2963038

SCHEMBL2963038

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

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.75
ALDH1A1 P00352 6/20 0.59
CTSB P07858 2/20 0.53
CYP3A4 P08684 2/20 0.50
ALOX15 P16050 2/20 0.50
NOS1 P29475 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 2/20 0.50
MAPT P10636 2/20 0.50
MAPK1 P28482 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
NOS2 P35228 1/20 0.50
BLM P54132 1/20 0.50
POLB P06746 1/20 0.50
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50

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
SCHEMBL29643206 1.00 TDP1 (0.75) TDP1ALDH1A1CTSBCYP3A4ALOX15
SCHEMBL8722948 0.88 TDP1 (0.61) TDP1ALDH1A1CTSBCYP3A4ALOX15
SCHEMBL57166 0.87 TDP1 (1.00) TDP1ALDH1A1CTSBCYP3A4ALOX15
SCHEMBL29475175 0.87 TDP1 (1.00) TDP1ALDH1A1CTSBCYP3A4ALOX15
SCHEMBL17035156 0.85 TDP1 (0.53) TDP1ALDH1A1CTSBCYP3A4ALOX15
SCHEMBL28093598 0.84 TDP1 (0.95) TDP1ALDH1A1CTSBCYP3A4ALOX15
SCHEMBL27009722 0.83 S100A4 (0.53) TDP1ALDH1A1CTSBCYP3A4ALOX15
SCHEMBL15822880 0.81 ALDH1A1 (0.51) TDP1ALDH1A1CTSBCYP3A4ALOX15
Methyl Alcohol SCHEMBL28304524 0.80 TDP1 (0.86) TDP1ALDH1A1CTSBCYP3A4ALOX15
SCHEMBL9669809 0.80 CTSB (0.58) TDP1ALDH1A1CTSBCYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113150273-B Preparation method of nitrogen-containing polymer 中国科学院福建物质结构研究所 2024-01-23 CN claimed
CN-113150273-A Preparation method of nitrogen-containing polymer 中国科学院福建物质结构研究所 2021-07-23 CN claimed
CN-110511230-A Compound and the preparation method and application thereof, organic electrochromic device UNIV PEKING SHENZHEN GRADUATE SCHOOL 2019-11-29 CN claimed
CN-102924330-A Method for large-scale preparation of 5-amino-1-naphthyl nitrile UNIV EAST CHINA SCIENCE & TECH 2013-02-13 CN claimed
JP-8151353-A None JP disclosed
US-12448391-B2 Bicyclic derivatives for treating endoparasites ELANCO TIERGESUNDHEIT AG (CH) 2025-10-21 US disclosed
WO-2025134136-A1 A COMPOUND, A PROBE, AND METHODS THEREOF L’OREAL (FR) 2025-06-26 WO disclosed
EP-3617213-B1 THIENO[3,2-D]PYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASES HANMI PHARMACEUTICAL CO LTD (KR) 2025-02-19 EP disclosed
CN-114206860-B Bicyclic derivatives for the treatment of endoparasites 礼蓝动物保健有限公司 2025-02-18 CN disclosed
EP-3897842-B1 BICYCLIC DERIVATIVES ELANCO TIERGESUNDHEIT AG (CH) 2025-01-29 EP disclosed
US-20240360116-A1 BICYCLIC DERIVATIVES ELANCO TIERGESUNDHEIT AG (SZ) 2024-10-31 US disclosed
CN-116212873-B Alumina-supported copper heterogeneous catalyst with molecular imprinting function and preparation method and application thereof 中国科学院兰州化学物理研究所 2024-10-29 CN disclosed
US-6075133-A INCREASED ACID STABILITY AND ENHANCED BACTERICIDAL ACTIVITY ABBOTT LABORATORIES (US) 2000-06-13 US disclosed
US-6028181-A 6-0-Substituted antibacterial erythromycin ketolides and methods of making ABBOTT LABORATORIES (US) 2000-02-22 US disclosed
CN-1237183-A 6-0-substituted ketolides with antibacterial activity ABBOTT CO (US) 1999-12-01 CN disclosed
EP-0929563-A1 6-O-SUBSTITUTED KETOLIDES HAVING ANTIBACTERIAL ACTIVITY Abbott Laboratories (US) 1999-07-21 EP disclosed
US-5866549-A MACROLIDE ANTIBIOTICS ABBOTT LABORATORIES (US) 1999-02-02 US disclosed
WO-1998009978-A1 6-O-SUBSTITUTED KETOLIDES HAVING ANTIBACTERIAL ACTIVITY ABBOTT LABORATORIES (US) 1998-03-12 WO disclosed
JP-H08151353-A PRODUCTION OF 1-AMINO-5-BROMONAPHTHALENE MITSUI TOATSU CHEM INC 1996-06-11 JP disclosed
EP-0511152-A2 Quinoxaline compounds, their preparation and use NOVO NORDISK A/S (DK) 1992-10-28 EP 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 (2 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-12448391-B2 Bicyclic derivatives for treating endoparasites TBXA2R, PIGS, CYCS TDP1 4342/4885ALDH1A1 1017/4885CTSB 788/4885
US-20240360116-A1 BICYCLIC DERIVATIVES FABP3, CYCS, TNNI3 TDP1 4813/4885ALDH1A1 611/4885CTSB 1685/4885

“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.