SCHEMBL1644965

SCHEMBL1644965

CCc1ccccc1NC(C)=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.59
ALDH1A1 P00352 4/20 0.59
HPGD P15428 1/20 0.59
MAPT P10636 2/20 0.58
GAA P10253 2/20 0.58
TSHR P16473 2/20 0.58
POLB P06746 2/20 0.57
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
HTT P42858 2/20 0.56
TAS1R3 Q7RTX0 1/20 0.56

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
SCHEMBL3633430 0.91 ALDH1A1 (0.54) MAPK1ALDH1A1HPGDMAPTGAA
SCHEMBL1644885 0.86 MAPK1 (0.59) MAPK1ALDH1A1HPGDMAPTGAA
SCHEMBL3150784 0.86 ALDH1A1 (0.59) MAPK1ALDH1A1HPGDTSHRPOLB
SCHEMBL7055476 0.86 ALDH1A1 (0.57) MAPK1ALDH1A1HPGDTSHRPOLB
SCHEMBL30168125 0.86 ALDH1A1 (0.59) MAPK1ALDH1A1HPGDTSHRPOLB
SCHEMBL9717979 0.85 HTT (0.72) ALDH1A1MAPTGAAPOLBHDAC3
SCHEMBL2349955 0.85 MAPT (0.61) ALDH1A1MAPTGAAPOLBHDAC3
SCHEMBL29580443 0.85 HTT (0.72) ALDH1A1MAPTGAAPOLBHDAC3
SCHEMBL948318 0.85 MAPT (0.59) ALDH1A1HPGDMAPTGAAPOLB
SCHEMBL7236261 0.84 ALDH1A1 (0.55) MAPK1ALDH1A1HPGDTSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106518828-B Amides myricetin derivative, preparation method and application 贵州大学 2018-10-23 CN claimed
CN-106518828-A Amides myricetin derivative and preparation method and application thereof 贵州大学 2017-03-22 CN claimed
JP-4665239-B2 2011-04-06 JP claimed
CN-1088992-C Topically administrable compositions containing 3-benzoylphenylacetic acid derivatives for treatment of ophthalmic inflammatory disorders ALCON LAB INC (US) 2002-08-14 CN claimed
JP-2002512230-A 2002-04-23 JP claimed
EP-1071668-A1 5-AMINOINDENO(1,2-C)PYRAZOL-4-ONES AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS Du Pont Pharmaceuticals Company (US) 2001-01-31 EP claimed
WO-1999054308-A1 5-AMINOINDENO(1,2-C)PYRAZOL-4-ONES AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS DU PONT PHARMACEUTICALS COMPANY (US) 1999-10-28 WO claimed
CN-1129397-A Topically administrable compositions containing 3-benzoylphenylacetic acid derivatives for treatment of ophthalmic inflammatory disorders ALCON LAB INC (US) 1996-08-21 CN claimed
US-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed
US-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed
CN-117886701-A Full-continuous preparation method of 4-nitrophenethylamine 爱斯特(成都)生物制药股份有限公司 2024-04-16 CN disclosed
US-20230381327-A1 REACTIVE CONJUGATES DEBIOPHARM RESEARCH & MANUFACTURING S.A. (CH) 2023-11-30 US disclosed
US-20230250086-A1 METHIONINE METABOLIC PATHWAY INHIBITORS MIGAL - GALILEE RESEARCH INSTITUTE LTD. (IL) 2023-08-10 US disclosed
US-20230234967-A1 Fused Azole Heterocycles as AHR Antagonists SAIL BIOMEDICINES, INC. 2023-07-27 US disclosed
EP-0970954-A1 3-PIPERIDYL-4-OXOQUINAZOLINE DERIVATIVES AND MEDICINCAL COMPOSITIONS CONTAINING THE SAME JAPAN TOBACCO INC. (JP) 2000-01-12 EP disclosed
WO-1999054308-A1 5-AMINOINDENO(1,2-C)PYRAZOL-4-ONES AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS DU PONT PHARMACEUTICALS COMPANY (US) 1999-10-28 WO disclosed
CN-1129397-A Topically administrable compositions containing 3-benzoylphenylacetic acid derivatives for treatment of ophthalmic inflammatory disorders ALCON LAB INC (US) 1996-08-21 CN disclosed
US-5422211-A Imaging members with trisazo photogenerating materials XEROX CORPORATION (US) 1995-06-06 US disclosed
EP-0593251-A1 Process for the catalytic debromination of halogenated monocyclic aromatic compounds HOECHST CELANESE CORPORATION (US) 1994-04-20 EP disclosed
WO-1994001394-A1 PREPARATION OF N-ARYL AMIDES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1994-01-20 WO 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-20230234967-A1 Fused Azole Heterocycles as AHR Antagonists AHR, ARNT, AIPL1 MAPK1 1346/4885ALDH1A1 799/4885HPGD 148/4885
US-20230250086-A1 METHIONINE METABOLIC PATHWAY INHIBITORS GSS, MTR, CTH MAPK1 1228/4885ALDH1A1 757/4885HPGD 1679/4885
US-20230381327-A1 REACTIVE CONJUGATES FCGR3B, FCGR1A, FCGR2A MAPK1 2065/4885ALDH1A1 638/4885HPGD 4143/4885

“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.