SCHEMBL3086828

SCHEMBL3086828

O=C(Cl)Cc1cccc(Cl)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.56
TAAR1 Q96RJ0 1/20 0.50
IDO1 P14902 2/20 0.48
TSHR P16473 2/20 0.47
AKR1B1 P15121 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
P2RX7 Q99572 1/20 0.44
PTPRC P08575 1/20 0.44
PTPRG P23470 1/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CXCL8 P10145 2/20 0.42
AKR1B10 O60218 1/20 0.42
UGT1A9 O60656 1/20 0.42

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
SCHEMBL3393837 0.85 PNMT (0.59) PNMTTAAR1IDO1TSHRAKR1B1
SCHEMBL29760897 0.85 PNMT (0.59) PNMTTAAR1IDO1TSHRAKR1B1
SCHEMBL6194277 0.84 PNMT (0.58) PNMTTAAR1IDO1TSHRAKR1B1
SCHEMBL286906 0.84 CTBP2 (0.56) PNMTIDO1ALDH1A1MEN1KMT2A
SCHEMBL29810302 0.84 CTBP2 (0.56) PNMTIDO1ALDH1A1MEN1KMT2A
SCHEMBL10423282 0.83 AKR1B1 (0.53) TSHRAKR1B1ALDH1A1MEN1KMT2A
SCHEMBL2547244 0.83 AKR1B1 (0.63) PNMTTAAR1IDO1TSHRAKR1B1
SCHEMBL6961042 0.83 PNMT (0.56) PNMTTAAR1IDO1TSHRAKR1B1
SCHEMBL24977211 0.82 ANO1 (0.41) PNMTTAAR1ALDH1A1MEN1KMT2A
SCHEMBL11349111 0.82 TAAR1 (0.55) PNMTTAAR1IDO1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108707114-B Acetamide compound and preparation method and application thereof 上海泰禾国际贸易有限公司 2021-07-23 CN disclosed
CN-108707114-A A kind of acetamides and its preparation method and application 上海泰禾国际贸易有限公司 2018-10-26 CN disclosed
US-10071994-B2 N-sulfonyl homoserine lactone derivatives, preparation method and use thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2018-09-11 US disclosed
US-20180179193-A1 N-Sulfonyl Homoserine Lactone Derivatives, Preparation Method and Use Thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2018-06-28 US disclosed
EP-3150594-A1 N-SULFONYL HOMOSERINE LACTONE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. China (CN) 2017-04-05 EP disclosed
US-9447134-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections BRANDEIS UNIVERSITY (US) 2016-09-20 US disclosed
US-9447134-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections BRANDEIS UNIVERSITY (US) 2016-09-20 US disclosed
US-9447134-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections BRANDEIS UNIVERSITY (US) 2016-09-20 US disclosed
US-20150210727-A1 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-07-30 US disclosed
US-20150210727-A1 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-07-30 US disclosed
EP-0361791-A2 Azacyclic derivatives useful as medicaments Smithkline Beecham Farmaceutici S.p.A. (IT) 1990-04-04 EP disclosed
US-4876269-A ANALGESICS, DIURETICS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-10-24 US disclosed
EP-0330360-A1 1,2,3,4-Tetrahydroisoquinolines, processes for their preparation, and their use as kappa-receptor agonists SmithKline Beecham Farmaceutici S.p.A. (IT) 1989-08-30 EP disclosed
EP-0325406-A2 Diamine compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-07-26 EP disclosed
EP-0260555-A1 Benzo-fused cycloalkane and oxa- and thia-, cycloalkane trans-1,2-diamine derivatives THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1988-03-23 EP disclosed
EP-0116639-A4 ACYL GUANIDINES. RORER INTERNAT OVERSEAS INC (US) 1985-09-25 EP disclosed
US-4502883-A CONTAINING CHLORINE IDEMITSU KOSAN COMPANY LIMITED (JP) 1985-03-05 US disclosed
EP-0116639-A1 ACYL GUANIDINES RORER INTERNATIONAL (OVERSEAS) INC. (US) 1984-08-29 EP disclosed
US-4455164-A HALOGENATED DERIVATIVES IDEMITSU KOSAN COMPANY LIMITED (JP) 1984-06-19 US disclosed
WO-1984000875-A1 ACYL GUANIDINES RORER INT OVERSEAS (US) 1984-03-15 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-20150210727-A1 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS IMPDH1, IMPDH2, IMPA1 PNMT 426/4885TAAR1 3357/4885IDO1 7/4885
US-20180179193-A1 N-Sulfonyl Homoserine Lactone Derivatives, Preparation Method and Use Thereof LSS, SOS1, STS PNMT 1396/4885TAAR1 4030/4885IDO1 2766/4885
US-10071994-B2 N-sulfonyl homoserine lactone derivatives, preparation method and use thereof LSS, SOS1, STS PNMT 1562/4885TAAR1 4139/4885IDO1 3010/4885

“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.