SCHEMBL643963

SCHEMBL643963

CN(C)C(=O)c1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
HPGD P15428 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
CYP1A2 P05177 4/20 0.52
CYP2C19 P33261 3/20 0.52
KMT2A Q03164 2/20 0.52
CYP3A4 P08684 3/20 0.51
USP2 O75604 2/20 0.51
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
TSHR P16473 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL22259609 0.94 BCL2L1 (0.57) ALDH1A1HPGDSMN1; SMN2CES2CES1
SCHEMBL22259645 0.88 APP (0.55) ALDH1A1HPGDSMN1; SMN2CES2CES1
SCHEMBL1004649 0.87 ALDH1A1 (0.73) ALDH1A1HPGDSMN1; SMN2CYP1A2CYP2C19
SCHEMBL792035 0.84 PDK1 (0.48) ALDH1A1HPGDSMN1; SMN2CYP1A2CYP2C19
SCHEMBL791592 0.82 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2CES2CES1
SCHEMBL14648140 0.82 CYP1A2 (0.53) CES2CES1CYP1A2CYP2C19KMT2A
SCHEMBL4831308 0.82 CES2 (0.50) CES2CES1CYP1A2CYP2C19KMT2A
SCHEMBL10626283 0.80 ALDH1A1 (0.64) ALDH1A1HPGDSMN1; SMN2CYP1A2CYP2C19
SCHEMBL23169598 0.80 ALDH1A1 (0.48) ALDH1A1HPGDSMN1; SMN2CYP1A2CYP2C19
SCHEMBL13034674 0.79 HDAC4 (0.49) ALDH1A1HPGDCES2CES1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117897440-A Method for screening solvent for extraction of polyvinyl chloride, method for recycling waste material, recycled polyvinyl chloride and composition 株式会社LG化学 2024-04-16 CN claimed
CN-117897439-A Method for screening solvent for extraction of polyvinyl chloride, method for recovering waste material, and recovered polyvinyl chloride and composition 株式会社LG化学 2024-04-16 CN claimed
CN-116670127-A EGFR inhibitors and compositions and uses thereof 贝达药业股份有限公司 2023-08-29 CN claimed
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US claimed
CN-117897440-A Method for screening solvent for extraction of polyvinyl chloride, method for recycling waste material, recycled polyvinyl chloride and composition 株式会社LG化学 2024-04-16 CN disclosed
CN-115636764-B Synthesis method of benzamide compound 广东省科学院化工研究所 2024-03-12 CN disclosed
CN-116670127-A EGFR inhibitors and compositions and uses thereof 贝达药业股份有限公司 2023-08-29 CN disclosed
US-20230062100-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2023-03-02 US disclosed
US-11572369-B2 Bicyclic pyridine compositions and methods of using the same for cancer therapy UNIVERSITY OF SOUTH CAROLINA (US) 2023-02-07 US disclosed
CN-115636764-A Synthetic method of benzamide compound 广东省科学院化工研究所 2023-01-24 CN disclosed
CN-115521277-A Method for preparing benzofuran compound 山东新时代药业有限公司 2022-12-27 CN disclosed
CN-115210225-A Substituted aminoquinolones as immuno-activated DGKALPHA inhibitors 拜耳公司 2022-10-18 CN disclosed
US-4410534-A 3-Substituted-5,6,7,8-tetrahydropyrrolo[1,2-a]-pyridine-and 6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]-azepine carboxylic acid derivatives useful as blood platelet aggregation inhibitors SYNTEX (U.S.A.) INC. (US) 1983-10-18 US disclosed
US-4347187-A Process for preparing 5-aroyl 1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1-carboxylic acids and novel intermediates therein SYNTEX (U.S.A.) INC. (US) 1982-08-31 US disclosed
US-4347186-A Process for preparing 5-aroyl 1,2-dihydro-3-H pyrrolo[1,2-a]pyrrole-1-carboxylic acids and novel intermediates therein SYNTEX (U.S.A.) INC. (US) 1982-08-31 US disclosed
US-4344943-A ANALGESICS, ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) INC. (US) 1982-08-17 US disclosed
EP-0041711-A1 6-Chloro- or 6-bromo-1,2-dihydro-3H-pyrrolo(1,2-a)-pyrrole-1-carboxylic acids and derivatives thereof, process for their production and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1981-12-16 EP disclosed
EP-0000649-B1 5-SUBSTITUTED-1,2-DIHYDRO-3H-PYRROLO(1,2-A)PYRROLE-1-CARBONITRILES AND PROCESS FOR THEIR CONVERSION TO THE CORRESPONDING 1-CARBOXYLIC ACIDS SYNTEX (U.S.A.) INC. (US) 1981-03-25 EP disclosed
US-4119639-A Preparation of 5-aroylpyrrole-2-acetic acid derivatives MCNEIL LABORATORIES, INCORPORATED (US) 1978-10-10 US disclosed
US-4089969-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, SMOOTH MUSCLE RELAXANT SYNTEX (U.S.A.) INC. (US) 1978-05-16 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 (2 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-20230062100-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION DGKK, DGKG, DGKA ALDH1A1 4050/4885HPGD 1481/4885SMN1; SMN2 4695/4885
US-11572369-B2 Bicyclic pyridine compositions and methods of using the same for cancer therapy DPYD, TK2, TYMP ALDH1A1 853/4885HPGD 160/4885SMN1; SMN2 3025/4885

“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.