SCHEMBL4083640

SCHEMBL4083640

Cc1cccc2c(N)cccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
CYP3A4 P08684 4/20 0.68
TDP1 Q9NUW8 4/20 0.68
TSHR P16473 3/20 0.68
CYP1A2 P05177 3/20 0.68
CYP2A6 P11509 3/20 0.68
HSD17B10 Q99714 3/20 0.68
HPGD P15428 2/20 0.68
CD44 P16070 1/20 0.56
NR4A2 P43354 1/20 0.52
KEAP1 Q14145 1/20 0.50
PIK3CA P42336 1/20 0.50
KDM4E B2RXH2 3/20 0.45
PKM P14618 1/20 0.45
PARP1 P09874 2/20 0.44
MEN1 O00255 2/20 0.43
TDP2 O95551 2/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 2/20 0.43
BLM P54132 2/20 0.43

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
SCHEMBL29903130 1.00 ALDH1A1 (0.68) ALDH1A1CYP3A4TDP1TSHRCYP1A2
SCHEMBL10348247 0.85 CD44 (0.81) ALDH1A1CYP3A4TDP1TSHRCYP1A2
SCHEMBL30231905 0.84 CYP1A2 (0.68) ALDH1A1CYP3A4TDP1TSHRCYP1A2
SCHEMBL248677 0.84 CYP1A2 (0.68) ALDH1A1CYP3A4TDP1TSHRCYP1A2
SCHEMBL28494492 0.84 CYP1A2 (0.68) ALDH1A1CYP3A4TDP1TSHRCYP1A2
SCHEMBL30259992 0.83 CYP3A4 (0.59) ALDH1A1CYP3A4TDP1TSHRCYP1A2
SCHEMBL424167 0.83 CYP1A2 (1.00) ALDH1A1CYP3A4TDP1TSHRCYP1A2
SCHEMBL29365003 0.83 ALDH1A1 (1.00) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL29463284 0.83 CYP1A2 (1.00) ALDH1A1CYP3A4TDP1TSHRCYP1A2
SCHEMBL48843 0.83 ALDH1A1 (1.00) ALDH1A1CYP3A4TDP1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12083498-B2 Chromatographic materials for the separation of unsaturated molecules WATERS TECHNOLOGIES CORPORATION (US) 2024-09-10 US disclosed
CN-115003677-B Compounds having inhibitory activity against KRAS G12D mutations 大鹏药品工业株式会社 2024-08-27 CN disclosed
WO-2024151024-A1 COMPOUND FOR CAPPING LAYER AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 진웅산업 2024-07-18 WO disclosed
CN-111644164-B Chromatographic material for separating unsaturated molecules 沃特世科技公司 2024-03-08 CN disclosed
WO-2023226264-A1 HYPERBRANCHED POLYPHENYL AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 苏州大学 2023-11-30 WO disclosed
US-20230381112-A1 Compositions and Methods of Manufacturing Amphiphilic Block Copolymers that Form Nanoparticles in Situ VACCITECH NORTH AMERICA, INC. (US) 2023-11-30 US disclosed
US-20230381112-A1 Compositions and Methods of Manufacturing Amphiphilic Block Copolymers that Form Nanoparticles in Situ VACCITECH NORTH AMERICA, INC. (US) 2023-11-30 US disclosed
US-20230348495-A1 A COMPOUND HAVING INHIBITORY ACTIVITY AGAINST KRAS G12D MUTATION ASTEX THERAPEUTICS LIMITED (GB) 2023-11-02 US disclosed
WO-2023111919-A1 OPTO-ELECTRONIC DEVICE COMPRISING A PATTERNING COATING COMPRISING A PLURALITY OF MATERIALS OTI LUMIONICS INC. (CA) 2023-06-22 WO disclosed
WO-2022266340-A1 SELF-ASSEMBLING NANOPARTICLES BASED ON AMPHIPHILIC PEPTIDES FOR DRUG DELIVERY APPLICATIONS VACCITECH NORTH AMERICA, INC. (US) 2022-12-22 WO disclosed
US-20060281738-A1 2-Naphthylimino-1,3-thiazine derivative SHIONOGI AND CO., LTD. (JP) 2006-12-14 US disclosed
CN-1863784-A 2-naphthylimino-1,3-thiazine derivative SHIONOGI & CO (JP) 2006-11-15 CN disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP disclosed
EP-1659117-A1 2-NAPHTHYLIMINO-1,3-THIAZINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2006-05-24 EP disclosed
US-5047553-A Tetrafluoro-N-phenylphthalimide OCCIDENTAL CHEMICAL CORPORATION (US) 1991-09-10 US disclosed
US-5001227-A Fibre-reactive 1:1 chromium complex azo or azomethine dyes having a bidentate chelating group and a monofunctional neutral ligand CIBA-GEIGY CORPORATION (US) 1991-03-19 US disclosed
US-4990598-A Colorfastness CIBA-GEIGY CORPORATION, A CORP. OF NEW YORK 1991-02-05 US disclosed
US-4960870-A DYEING WOOL, POLYAMIDES; FIBER REACTIVE DYES CIBA-GEIGY CORPORATION (US) 1990-10-02 US disclosed
US-4813972-A USING LEVELING DYES, COLORFASTNESS CIBA-GEIGY CORPORATION (US) 1989-03-21 US disclosed
US-4723001-A Fibre-reactive chromium complexes and their preparation and use CIBA-GEIGY CORPORATION (US) 1988-02-02 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 (4 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-20060281738-A1 2-Naphthylimino-1,3-thiazine derivative NPM1, OXTR, CYP2S1 ALDH1A1 1571/4885CYP3A4 95/4885TDP1 3815/4885
US-20230348495-A1 A COMPOUND HAVING INHIBITORY ACTIVITY AGAINST KRAS G12D MUTATION KRAS, NRAS, HRAS ALDH1A1 2932/4885CYP3A4 4491/4885TDP1 3471/4885
US-12083498-B2 Chromatographic materials for the separation of unsaturated molecules C9, EPHX2, ALOX5 ALDH1A1 1087/4885CYP3A4 511/4885TDP1 4724/4885
US-20230381112-A1 Compositions and Methods of Manufacturing Amphiphilic Block Copolymers that Form Nanoparticles in Situ SBDS, MTDH, DLST ALDH1A1 2783/4885CYP3A4 1359/4885TDP1 3783/4885

“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.