SCHEMBL39964

SCHEMBL39964

Cc1c(C(N)=O)cccc1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PARP1 P09874 10/20 0.52
METAP2 P50579 1/20 0.48
GAA P10253 1/20 0.47
BCAT2 O15382 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.45
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
PDPK1 O15530 1/20 0.45
SIRT3 Q9NTG7 1/20 0.43
TDP1 Q9NUW8 1/20 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
Hydrochloric Acid SCHEMBL4562961 0.97 PARP1 (0.50) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL2431512 0.91 TSHR (0.52) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL30471810 0.88 BCAT2 (0.52) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL160022 0.88 ESR1 (0.49) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL30933674 0.88 ESR1 (0.49) KDM4EALDH1A1MAPTHPGDTSHR
1,2-Dichlorobenzene SCHEMBL27708578 0.87 KDM4E (0.59) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL29778068 0.86 KDM4E (0.61) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL1804941 0.86 KDM4E (0.61) KDM4EALDH1A1MAPTHPGDTSHR
Hydrochloric Acid SCHEMBL27700838 0.86 ESR1 (0.47) KDM4EALDH1A1MAPTHPGDTSHR
Iodide SCHEMBL27448066 0.86 ESR1 (0.47) KDM4EALDH1A1MAPTHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110028419-A A kind of preparation method of Iopromide 台州学院 2019-07-19 CN claimed
US-20080161325-A1 e.g. N1-[3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]-3-(butylsulfonyl)-N1-(3-ethylbenzyl)-D-alaninamide dihydrochloride; inhibitors of amyloid beta-secretase enzyme; neurodegenerative diseases: Alzheimer's, Parkinson's diseases, Down's syndrome ELAN PHARMACEUTICALS, INC. 2008-07-03 US claimed
CN-115960010-A Preparation of aniline compounds 上海慧聚药业有限公司 2023-04-14 CN disclosed
CN-115160172-A Preparation process of iopromide 江苏宇田医药有限公司 2022-10-11 CN disclosed
CN-111410615-A Preparation method and application of iopromide intermediate 正大天晴药业集团股份有限公司 2020-07-14 CN disclosed
CN-110028419-A A kind of preparation method of Iopromide 台州学院 2019-07-19 CN disclosed
CN-110015972-A A kind of preparation method of Iopromide intermediate 台州学院 2019-07-16 CN disclosed
US-10005792-B2 Aminoindane-, aminotetrahydronaphthalene- and aminobenzocyclobutane-derived PRMT5-inhibitors CTXT PTY. LTD. (AU) 2018-06-26 US disclosed
EP-2590656-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2017-11-15 EP disclosed
US-20170313713-A1 AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS CTXT PTY. LTD. (AU) 2017-11-02 US disclosed
CN-106456627-A Methods for treating cancer and preventing cancer drug resistance 基因泰克公司 2017-02-22 CN disclosed
US-20060106256-A1 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY 2006-05-18 US disclosed
WO-2006042150-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-04-20 WO disclosed
US-20050256170-A1 EP receptor (for which the endogenous ligand is prostaglandin E2, PGE2); e.g. (4-[(5-Phenyl-furan-2-carbonyl)-amino]-phenyl)-acetic acid or 5-Phenyl-furan-2-carboxylic acid [3-(1H-tetrazol-5-yl)-phenyl]-amide; dysmenorrhoea, preterm labour, glaucoma, immune disorders, inflammatory disorders ASTERAND, INC. 2005-11-17 US disclosed
WO-2005080367-A1 EP2 RECEPTOR AGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2005-09-01 WO disclosed
EP-1339702-A1 5-AMIDE SUBSTITUTED DIARYLAMINES AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2003-09-03 EP disclosed
WO-2001068619-A1 5-AMIDE SUBSTITUTED DIARYLAMINES AS MEX INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-09-20 WO disclosed
US-5686645-A REACTION WITH ALCOHOL TO FORM CARBAMATE, TRANSITION METAL CATALYST ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1997-11-11 US disclosed
US-5155267-A Forming unsymmetric carbamates and ureas; reacting primary formamide with dialkyl amine or alcohol ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1992-10-13 US disclosed
US-4147725-A Process for preparing aniline compounds from amides with rhodium THE DOW CHEMICAL COMPANY (US) 1979-04-03 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-10005792-B2 Aminoindane-, aminotetrahydronaphthalene- and aminobenzocyclobutane-derived PRMT5-inhibitors PRMT5, PRMT1, PRMT3 KDM4E 113/4885ALDH1A1 2987/4885MAPT 3623/4885
US-20170313713-A1 AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS PRMT5, PRMT1, PRMT3 KDM4E 118/4885ALDH1A1 2910/4885MAPT 3678/4885
US-20050256170-A1 EP receptor (for which the endogenous ligand is prostaglandin E2, PGE2); e.g. (4-[(5-Phenyl-furan-2-carbonyl)-amino]-phenyl)-acetic acid or 5-Phenyl-furan-2-carboxylic acid [3-(1H-tetrazol-5-yl)-phenyl]-amide; dysmenorrhoea, preterm labour, glaucoma, immune disorders, inflammatory disorders PTGER3, PTGER1, PTGER4 KDM4E 4399/4885ALDH1A1 1588/4885MAPT 4800/4885
US-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE KDM4E 242/4885ALDH1A1 589/4885MAPT 43/4885
US-20080161325-A1 e.g. N1-[3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]-3-(butylsulfonyl)-N1-(3-ethylbenzyl)-D-alaninamide dihydrochloride; inhibitors of amyloid beta-secretase enzyme; neurodegenerative diseases: Alzheimer's, Parkinson's diseases, Down's syndrome BACE1, APP, BACE2 KDM4E 3054/4885ALDH1A1 2178/4885MAPT 246/4885

“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.