SCHEMBL2772409

SCHEMBL2772409

ClC/C=C/c1cccc(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
FBP1 P09467 1/20 0.50
CHAT P28329 1/20 0.50
CHRM5 P08912 1/20 0.50
RELA Q04206 1/20 0.49
GRIK1 P39086 1/20 0.48
GRIK2 Q13002 1/20 0.48
MAOB P27338 4/20 0.46
NPSR1 Q6W5P4 1/20 0.43
MAOA P21397 3/20 0.43
NFE2L2 Q16236 3/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
AKR1C3 P42330 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
SCHEMBL2772413 1.00 CYP1A2 (0.53) CYP1A2CYP2C9FBP1CHATCHRM5
SCHEMBL17485263 0.87 NFE2L2 (0.41) CYP1A2CYP2C9FBP1MAOBMAOA
SCHEMBL699364 0.82 CHAT (0.67) CYP1A2CYP2C9FBP1CHATCHRM5
SCHEMBL699365 0.82 CHAT (0.67) CYP1A2CYP2C9FBP1CHATCHRM5
SCHEMBL24737367 0.82 CYP1A2 (0.56) CYP1A2CYP2C9FBP1CHATCHRM5
SCHEMBL7396745 0.82 CYP1A2 (0.52) CYP1A2CYP2C9FBP1CHATCHRM5
SCHEMBL2771402 0.82 CYP1A2 (0.52) CYP1A2CYP2C9FBP1CHATCHRM5
SCHEMBL81747 0.82 CYP1A2 (0.56) CYP1A2CYP2C9FBP1CHATCHRM5
SCHEMBL2091647 0.82 CYP1A2 (0.56) CYP1A2CYP2C9FBP1CHATCHRM5
SCHEMBL9131505 0.82 CHAT (0.53) CYP1A2CYP2C9FBP1CHATCHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114230519-A Pleuromutilin cinnamate compounds with drug-resistant bacterium resisting activity and synthesis method and application thereof 陕西科技大学 2022-03-25 CN disclosed
CN-102762541-A Diaza derivatives as modulators of chemokine receptors HOFFMANN LA ROCHE 2012-10-31 CN disclosed
EP-1967509-B1 METHOD FOR PRODUCING PRIMARY AMINE COMPOUND SUMITOMO CHEMICAL CO (JP) 2010-04-14 EP disclosed
US-7652170-B2 Method for producing primary amine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-01-26 US disclosed
US-20090287023-A1 METHOD FOR PRODUCING PRIMARY AMINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-19 US disclosed
EP-1967509-A1 METHOD FOR PRODUCING PRIMARY AMINE COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-09-10 EP disclosed
US-5068325-A Dopaminergic systems as hypotensives, sedatives, antitussives and/or antiphlogistics KARL THOMAE GMBH (DE) 1991-11-26 US disclosed
US-4971618-A Herbicide compositions ICI AMERICAS INC. (US) 1990-11-20 US disclosed
US-4708735-A ACETANILIDE HERBICIDE AND A DICHLOROACETAMIDE ANTIDOTE TO PREVENT CROP DAMAGE STAUFFER CHEMICAL CO. (US) 1987-11-24 US disclosed
US-4616086-A ANTICOAGULANTS BOEHRINGER MANNHEIM GMBH (DE) 1986-10-07 US disclosed
US-4517012-A ANTIDOTESW STAUFFER CHEMICAL COMPANY (US) 1985-05-14 US disclosed
US-4415353-A A DICHLOROACETAMIDE AS PLANT SAFENING AGENT FOR THIOCARBAMATES STAUFFER CHEMICAL COMPANY (US) 1983-11-15 US disclosed
US-4415352-A N-FURYLMETHYL DICHLOROACETAMIDES AS PLANT SAFENING AGENTS FOR DITHIOCARBAMATES STAUFFER CHEMICAL COMPANY (US) 1983-11-15 US disclosed
US-4392884-A CONTAINING PLANT SAFENING AGENTS STAUFFER CHEMICAL COMPANY (US) 1983-07-12 US disclosed
US-4341550-A THIOLCARBAMATE WITH PLANT SAFENING AGENT STAUFFER CHEMICAL COMPANY (US) 1982-07-27 US disclosed
US-4276078-A HALOGENATED AMIDE ANTIDOTES FOR THIOCARBAMYL HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1981-06-30 US disclosed
US-4269618-A COMPRISING A THIOLCARBAMATE AND AN ANTIDOTE OF A HALOALKYLAMIDO COMPOUND; COATING CROP SEEDS; APPLYING TO THE SOIL STAUFFER CHEMICAL COMPANY (US) 1981-05-26 US disclosed
US-4137070-A CONTAINING HERBICIDAL ANTIDOTE STAUFFER CHEMICAL COMPANY (US) 1979-01-30 US disclosed
US-4124376-A HALOACETANILIDE HERBICIDE AND HALO-N,N-BISALKENYLAMIDE NONPHYTOTOXIC ANTIDOTE STAUFFER CHEMICAL COMPANY (US) 1978-11-07 US disclosed
US-4021224-A THIOCARBAMATE, WEED PEST CONTROL, ANTIDOTES STAUFFER CHEMICAL COMPANY (US) 1977-05-03 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 (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-20090287023-A1 METHOD FOR PRODUCING PRIMARY AMINE COMPOUND HRH3, HRH4, C5 CYP1A2 155/4885CYP2C9 317/4885FBP1 1442/4885

“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.