SCHEMBL126938

SCHEMBL126938

[c]1ccccc1-c1cccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.39
ALDH1A1 P00352 7/20 0.39
HPGD P15428 5/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KCNH2 Q12809 1/20 0.38
RPS6KB2 Q9UBS0 1/20 0.37
HSD17B10 Q99714 6/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
LTA4H P09960 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2E1 P05181 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2B6 P20813 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35

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
SCHEMBL275868 0.86
SCHEMBL21297044 0.79 LTA4H (0.37) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL7152278 0.75 KDM4E (0.36) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL115447 0.72 CYP3A4 (0.33) CYP3A4SMN1; SMN2CASP1CASP7
SCHEMBL8095665 0.72 CYP3A4 (0.52) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL19127624 0.72 MAOA (0.38) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL10854744 0.72 ALDH1A1 (0.41) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL5281380 0.72 MAPT (0.41) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL2779806 0.70 KDM4E (0.43) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL21295790 0.70 PTGS2 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339852-A1 DICARBOXYLIC ACID COMPOUNDS, INORGANIC PARTICLES TREATED WITH THE DICARBOXYLIC ACID COMPOUNDS, AND COMPOSITIONS THEREOF 3M INNOVATIVE PROPERTIES COMPANY 2023-10-26 US claimed
US-11787959-B2 Radiation curable gravure ink CHANGZHOU GREEN PHOTOSENSITIVE MATERIALS CO., LTD. (CN) 2023-10-17 US claimed
CN-116730995-A Hydrazide compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2023-09-12 CN claimed
US-20230220161-A1 POLYIMIDE PRECURSOR PREPARED BY USING POLYCYCLIC MONOMER INCLUDING TRIFLUOROMETHYL GROUP AND FLEXIBLE POLYIMIDE OBTAINED BY USING THE SAME KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2023-07-13 US claimed
CN-111484541-B Dinucleotide prodrugs and methods of making same 博瑞生物医药(苏州)股份有限公司 2023-06-02 CN claimed
CN-112143284-B Radiation-curable ink and use thereof 常州强力电子新材料股份有限公司 2022-09-27 CN claimed
CN-115043880-A Nitrogen-antimony-octylepisulfide/selenium derivative and efficient synthesis method thereof 湖南大学 2022-09-13 CN claimed
CN-114585604-A Dicarboxylic acid compound, inorganic particle treated with dicarboxylic acid compound, and composition thereof 3M创新有限公司 2022-06-03 CN claimed
CN-114361341-A Laminated image pickup device and image pickup module 索尼公司 2022-04-15 CN claimed
CN-107534050-B Image sensor, laminated image pickup device, and image pickup module 索尼公司 2021-12-14 CN claimed
EP-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 EP claimed
WO-1996033170-A1 N-AROYLAMINO ACID AMIDES AS ENDOTHELIN INHIBITORS NOVARITS AG (CH) 1996-10-24 WO claimed
EP-0728145-A1 ENDOTHELIN RECEPTOR ANTAGONISTS Ciba-Geigy Japan Limited (JP) 1996-08-28 EP claimed
US-5532358-A Method for preparing alkyl-5,11-dihydro-6h-dipyrido[3,2-B:2',3'-E] [1,4] diazepin-6-ones BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1996-07-02 US claimed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 WO claimed
WO-1995012611-A1 ENDOTHELIN RECEPTOR ANTAGONISTS JAPAT LTD. (CH) 1995-05-11 WO claimed
EP-0534582-A1 Methylation or ethylation agent and process for an 1,4-addition of a methyl- or ethylgroup to an alpha, beta-insaturated ketogroup SCHERING AKTIENGESELLSCHAFT (DE) 1993-03-31 EP claimed
EP-0111997-A2 Vinyl carboxylic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1984-06-27 EP claimed
US-4178443-A Derivatives of 7 [-substituted oxyimins acetamido] cephalosporins HOFFMANN-LA ROCHE INC. (US) 1979-12-11 US claimed
EP-0004134-A1 Beta-lactam antibacterial agents, their pharmaceutical compositions and process for their preparation BEECHAM GROUP PLC (GB) 1979-09-19 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20230339852-A1 DICARBOXYLIC ACID COMPOUNDS, INORGANIC PARTICLES TREATED WITH THE DICARBOXYLIC ACID COMPOUNDS, AND COMPOSITIONS THEREOF F12, RCC1, C9 KDM4E 2190/4885ALDH1A1 2631/4885HPGD 2573/4885

“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.