SCHEMBL2247257

SCHEMBL2247257

CCC(Br)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
CASP3 P42574 2/20 0.44
LMNA P02545 1/20 0.43
TNF P01375 3/20 0.42
ALDH1A1 P00352 6/20 0.42
GAA P10253 1/20 0.42
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
NFKB1 P19838 1/20 0.41
APEX1 P27695 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DRD3 P35462 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL9237832 1.00 TDP1 (0.49) TDP1CASP3LMNATNFALDH1A1
SCHEMBL1256984 0.85 TDP1 (0.46) TDP1CASP3LMNATNFALDH1A1
SCHEMBL4909194 0.82 TDP1 (0.44) TDP1CASP3LMNATNFALDH1A1
SCHEMBL19615470 0.82 TDP1 (0.50) TDP1CASP3LMNATNFALDH1A1
SCHEMBL19981234 0.81 TDP1 (0.53) TDP1CASP3LMNAALDH1A1GAA
SCHEMBL56405 0.81 TDP1 (0.53) TDP1CASP3LMNAALDH1A1GAA
SCHEMBL28599364 0.80 CES1 (0.49) ALDH1A1GAA
SCHEMBL11548706 0.80 NR1H2 (0.44) TDP1ALDH1A1GAAPOLBKDM4E
SCHEMBL6364898 0.79 TDP1 (0.52) TDP1CASP3LMNATNFALDH1A1
SCHEMBL5490233 0.79 TDP1 (0.52) TDP1CASP3LMNATNFALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106632238-A Thiacalix [4] arene mono-substituted amine Schiff base derivative and synthesis method thereof 谢长江 2017-05-10 CN claimed
JP-8100129-A None JP disclosed
US-11919880-B2 HCV protease inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-03-05 US disclosed
US-11603570-B2 Methods for the detection and treatment of leukemias that are responsive to DOT1L inhibition MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2023-03-14 US disclosed
CN-113735798-B Preparation method of roxatidine acetate hydrochloride 安徽美致诚药业有限公司 2022-07-12 CN disclosed
US-20220106290-A1 HCV PROTEASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-04-07 US disclosed
CN-111875811-B Supermolecule polymer and preparation method and application thereof 常州大学 2022-02-11 CN disclosed
US-11197888-B2 LHRH-platinum conjugates for treating reproductive cancers Eastern Kentucky University (US) 2021-12-14 US disclosed
CN-113735798-A Preparation method of roxatidine acetate hydrochloride 安徽美致诚药业有限公司 2021-12-03 CN disclosed
CN-107811971-B Liposomes for drug delivery 益普生生物制药公司 2021-10-29 CN disclosed
US-4537880-A Aminopropylaminobleomycin derivatives and process for preparation thereof ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1985-08-27 US disclosed
EP-0150192-A1 BICYCLIC BENZENOID AMINOALKYLENE ETHERS AND THIOETHERS. RORER INT OVERSEAS (US) 1985-08-07 EP disclosed
US-4529723-A Gastrointestinal disorders; antiulcer agents WILLIAM H. RORER, INC. (US) 1985-07-16 US disclosed
WO-1984004247-A1 BICYCLIC BENZENOID AMINOALKYLENE ETHERS AND THIOETHERS, AND THEIR PHARMACEUTICAL USES RORER INT OVERSEAS (US) 1984-11-08 WO disclosed
EP-0024510-B1 PHENOXYPROPYL AMINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TEIKOKU HORMONE MFG. CO., LTD. (JP) 1983-10-19 EP disclosed
EP-0068806-A2 Basic acyl amides of (5-amino-1,3-dialkylpyrazol-4-yl)(aryl)methanones, processes for their production, and pharmaceutical compositions containing such compounds WARNER-LAMBERT COMPANY (US) 1983-01-05 EP disclosed
US-4293557-A AMIDES TEIKOKU HORMONE MFG. CO., LTD. (JP) 1981-10-06 US disclosed
EP-0024510-A1 Phenoxypropyl amine derivatives, process for their preparation, and pharmaceutical compositions containing them TEIKOKU HORMONE MFG. CO., LTD. (JP) 1981-03-11 EP disclosed
US-4038412-A ANTI-VIRAL AGENTS RICHARDSON-MERRELL INC. (US) 1977-07-26 US disclosed
US-3937707-A 6-SUBSTITUTED 1-PHENAZINOL 5,10-DIOXIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 1976-02-10 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 (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-11603570-B2 Methods for the detection and treatment of leukemias that are responsive to DOT1L inhibition MLLT1, MCL1, BCR TDP1 2018/4885CASP3 1726/4885LMNA 2534/4885
US-11919880-B2 HCV protease inhibitors CTRL, HTR3C, PRSS1 TDP1 2713/4885CASP3 572/4885LMNA 2531/4885
US-20220106290-A1 HCV PROTEASE INHIBITORS CTRL, HTR3C, PRSS1 TDP1 2713/4885CASP3 572/4885LMNA 2531/4885

“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.