SCHEMBL6814384

SCHEMBL6814384

Cc1cc(C=O)ccc1N(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.48
CYP2A13 Q16696 1/20 0.48
ALDH1A1 P00352 8/20 0.44
ALDH1A3 P47895 6/20 0.44
ALDH3A1 P30838 5/20 0.42
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PTGS2 P35354 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
HSD17B10 Q99714 1/20 0.38
APP P05067 3/20 0.38
ESR1 P03372 1/20 0.37
AOX1 Q06278 1/20 0.36
TRIM24 O15164 1/20 0.36
HPGD P15428 1/20 0.36
ALDH5A1 P51649 1/20 0.36
ABAT P80404 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36

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
SCHEMBL31299760 1.00 CYP2A6 (0.48) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL27694001 0.83 CYP2A6 (0.52) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL7573111 0.80 CYP2A6 (0.39) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL5685311 0.79 ALDH1A3 (0.49) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL30893368 0.79 ALDH1A3 (0.49) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL9362085 0.79 ALDH1A3 (0.67) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL6529891 0.78 ALDH1A3 (0.62) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL456999 0.78 ALDH1A3 (0.66) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL3186339 0.78 CYP2A6 (0.47) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL31299762 0.78 APP (0.62) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119192004-A Anti-oxidation polymerization-inhibition polymerizable diphenyl ketone photoinitiator and preparation method and application thereof 北京化工大学 2024-12-27 CN claimed
US-4148658-A BENZOYLMETHYLENE-BENSOTHIAZOLYIDEND-THIAZOLIDONE COMPOUND, AMINE, AND AMINOARYLCARBONYL COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1979-04-10 US claimed
CN-119192004-A Anti-oxidation polymerization-inhibition polymerizable diphenyl ketone photoinitiator and preparation method and application thereof 北京化工大学 2024-12-27 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-1165531-C Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing phenylenediamine groups 2004-09-08 CN disclosed
EP-1137632-B1 THIOUREA INHIBITORS OF HERPES VIRUSES WYETH CORP (US) 2004-07-28 EP disclosed
EP-1137645-B1 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP WYETH CORP (US) 2004-05-26 EP disclosed
US-6555561-B2 N-(5-((((5-Chloro-2,4-dimethoxyphenyl)amino)thioxomethyl)-amino)-2 -pyridinyl)-2-methylbenzamide, for example; inhibiting replication of a herpes virus WYETH 2003-04-29 US disclosed
US-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2003-02-20 US disclosed
US-6462055-B2 VIRICIDES WYETH 2002-10-08 US disclosed
CN-1367785-A Heterocyclic carboxamide-containing thiourea inhibitors of herpes viruses containing substituted phenylenediamine groups AMERICAN HOME PROD (US) 2002-09-04 CN disclosed
US-6201013-B1 INOSINE MONOPHOSPHATE DEHYDROGENASE (IMPDH) INHIBITOR; SIDE EFFECT REDUCTION, NON-DRUG RESISTANT AMERICAN HOME PRODUCTS CORPORATION 2001-03-13 US disclosed
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US disclosed
US-6166028-A Diaminopuridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-26 US disclosed
US-4549022-A ANTIBACTERIAL AGENT; STIMULANT ON CENTRAL NERVOUS SYSTEM HOFFMANN-LA ROCHE INC. (US) 1985-10-22 US disclosed
US-4521535-A ANTIBACTERIAL AGENTS; STIMULANTS FOR CENTRAL NERVOUS SYSTEM HOFFMANN-LA ROCHE INC. (US) 1985-06-04 US disclosed
US-4148658-A BENZOYLMETHYLENE-BENSOTHIAZOLYIDEND-THIAZOLIDONE COMPOUND, AMINE, AND AMINOARYLCARBONYL COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1979-04-10 US disclosed
US-4058563-A Novel schiff bases THE UPJOHN COMPANY (US) 1977-11-15 US disclosed
US-4026943-A Novel process THE UPJOHN COMPANY (US) 1977-05-31 US disclosed
US-4020104-A Process for isomerizing cis,cis- and cis,trans-isomers of di-(p-aminocyclohexyl)methane to the corresponding trans,trans-isomer THE UPJOHN COMPANY (US) 1977-04-26 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 (1 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-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses HAVCR2, CCR6, CXCR6 CYP2A6 97/4885CYP2A13 3053/4885ALDH1A1 3447/4885

“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.