SCHEMBL4444879

SCHEMBL4444879

CC(C)c1ccc2c(c1)C(=O)C(=O)N2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 5/20 0.55
CES1 P23141 5/20 0.55
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.51
GFER P55789 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MAOA P21397 7/20 0.50
MAOB P27338 7/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
CAPN9 O14815 1/20 0.49
CASP3 P42574 1/20 0.49
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45
IGF1R P08069 1/20 0.45
PDGFRB P09619 1/20 0.45

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
SCHEMBL8714236 0.85 CES1 (0.55) TGM2CES1ALDH1A1HPGDGFER
SCHEMBL5330038 0.84 TGM2 (0.53) TGM2CES1ALDH1A1MAOAMAOB
SCHEMBL22525915 0.83 CASP3 (0.50) TGM2CES1ALDH1A1HPGDGFER
SCHEMBL16111115 0.83 CES1 (0.53) TGM2CES1ALDH1A1MAOAMAOB
SCHEMBL18418044 0.82 ACVR1 (0.51) TGM2CES1ALDH1A1HPGDGFER
SCHEMBL12120564 0.82 HPGD (0.49) TGM2CES1ALDH1A1HPGDGFER
SCHEMBL2707210 0.82 ACVR1 (0.51) TGM2CES1ALDH1A1HPGDGFER
SCHEMBL1767901 0.82 TGM2 (0.50) TGM2CES1ALDH1A1MAOAMAOB
SCHEMBL11081844 0.82 MAOA (0.47) TGM2CES1ALDH1A1HPGDMAOA
SCHEMBL22525914 0.81 CASP3 (0.53) ALDH1A1HPGDGFERHSD17B10MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118852031-A 2, 3-Disubstituted quinazolinone compound and preparation method thereof 赣南师范大学 2024-10-29 CN claimed
CN-1884264-A Method for synthesizing 2-methyl-3-hydroxy-6-isopropyl quinolyl-4-carboxylic acid LUCKY SHENYANG SCIENCE AND TEC (CN) 2006-12-27 CN claimed
CN-1765885-A 2-methyl-3-hydroxy-6-isopropylquinoline-4-carboxyl acid preparation method CHINA LUCKY FILM CORP (CN) 2006-05-03 CN claimed
CN-115974759-B Compound with antibacterial use 中国医学科学院药物研究所 2025-06-17 CN disclosed
CN-118852031-A 2, 3-Disubstituted quinazolinone compound and preparation method thereof 赣南师范大学 2024-10-29 CN disclosed
US-11052092-B2 N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases GENFIT (FR) 2021-07-06 US disclosed
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 US disclosed
CN-108853102-B Condensed acridine derivatives acting on Dectin-1 and uses thereof 北京大学 2021-04-09 CN disclosed
US-20200048195-A1 SUBSTITUTED PYRROLIDINE CARBOXAMIDE COMPOUNDS Epizyme, Inc. 2020-02-13 US disclosed
US-10479765-B2 Substituted N,2-diarylquinoline-4-carboxamides and the use thereof as anti-inflammatory agents BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-11-19 US disclosed
US-20190322660-A1 SMYD INHIBITORS Epizyme, Inc. 2019-10-24 US disclosed
US-6541470-B1 Have a potent antiviral activity against picornaviruses and rotaviruses. MARUISHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-01 US disclosed
EP-1081138-A1 1,2-disubstituted 1,4-dihydro-4-oxoquinoline compounds Maruishi Pharmaceutical Co., Ltd. (JP) 2001-03-07 EP disclosed
US-5872115-A COMPOUNDS FOR TREATMENT OF HYPERCHOLESTEROLEMIA, ISCHEMIC HEART DISEASE, CEREBROVASCULAR DISEASE OR ATHEROSCLEROSIS GRELAN PHARMACEUTICAL CO. LTD. (JP) 1999-02-16 US disclosed
US-5817810-A CHARGE TRANSFER AGENTS; ELECTROPHOTOSENSITIVITY MITA INDUSTRIAL CO., LTD. (JP) 1998-10-06 US disclosed
US-5616441-A AS ELECTRON TRANSFERRING COMPOUND; INCREASED PHOTOSENSITIVITY; WEAR AND HEAT RESISTANCE; SOLVENT SOLUBILITY; BINDER COMPATABILITY; COPIERS; LASER PRINTERS MITA INDUSTRIAL CO., LTD. (JP) 1997-04-01 US disclosed
US-5585378-A Composition containing an oxoindole compound AKTIEBOLAGET ASTRA (SE) 1996-12-17 US disclosed
EP-0708375-A1 Tryptanthrine derivative and electrophotosensitive material MITA INDUSTRIAL CO., LTD. (JP) 1996-04-24 EP disclosed
CN-1079464-A Treatment comprises the preparation method of the valuable indolone of illness of cholinergic function reduction and the derivative of indole dione ASTRA AB (SE) 1993-12-15 CN disclosed
US-4348396-A Substituted 11-oxo-11H-pyrido[2,1-b]quinazolines and method of inhibiting allergic reactions with them HOFFMANN-LA ROCHE INC. (US) 1982-09-07 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 (5 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-11052092-B2 N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases RORA, RORC, RORB TGM2 185/4885CES1 733/4885ALDH1A1 118/4885
US-10479765-B2 Substituted N,2-diarylquinoline-4-carboxamides and the use thereof as anti-inflammatory agents AADAC, NFKBIA, NOD2 TGM2 566/4885CES1 289/4885ALDH1A1 1598/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 TGM2 1964/4885CES1 1955/4885ALDH1A1 1575/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 TGM2 2210/4885CES1 1795/4885ALDH1A1 1125/4885
US-20200048195-A1 SUBSTITUTED PYRROLIDINE CARBOXAMIDE COMPOUNDS SMYD3, SMYD2, SMURF2 TGM2 2061/4885CES1 3403/4885ALDH1A1 2292/4885

“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.