SCHEMBL2771402

SCHEMBL2771402

NC/C=C/c1cccc(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
GRIK1 P39086 1/20 0.50
GRIK2 Q13002 1/20 0.50
FBP1 P09467 1/20 0.49
CHAT P28329 1/20 0.49
CHRM5 P08912 1/20 0.48
GRIN1 Q05586 3/20 0.47
GRIN2B Q13224 3/20 0.47
GRIN2D O15399 2/20 0.47
GRIN3B O60391 2/20 0.47
GRIN2A Q12879 2/20 0.47
GRIN2C Q14957 2/20 0.47
GRIN3A Q8TCU5 2/20 0.47
RELA Q04206 1/20 0.47
PNMT P11086 1/20 0.45
AKR1C3 P42330 1/20 0.45
MAOB P27338 3/20 0.45
TAAR1 Q96RJ0 1/20 0.42
NFE2L2 Q16236 3/20 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
SCHEMBL2771404 1.00 CYP1A2 (0.52) CYP1A2CYP2C9GRIK1GRIK2FBP1
SCHEMBL1569554 0.85 CHAT (0.50) CYP1A2CYP2C9GRIK1GRIK2FBP1
SCHEMBL1569784 0.85 CHAT (0.50) CYP1A2CYP2C9GRIK1GRIK2FBP1
SCHEMBL1569551 0.85 CHAT (0.50) CYP1A2CYP2C9GRIK1GRIK2FBP1
SCHEMBL2772413 0.82 CYP1A2 (0.53) CYP1A2CYP2C9GRIK1GRIK2FBP1
SCHEMBL2772409 0.82 CYP1A2 (0.53) CYP1A2CYP2C9GRIK1GRIK2FBP1
SCHEMBL699365 0.80 CHAT (0.67) CYP1A2CYP2C9FBP1CHATCHRM5
SCHEMBL699364 0.80 CHAT (0.67) CYP1A2CYP2C9FBP1CHATCHRM5
SCHEMBL24737367 0.80 CYP1A2 (0.56) CYP1A2CYP2C9GRIK1GRIK2FBP1
SCHEMBL9131505 0.80 CHAT (0.53) CYP1A2CYP2C9GRIK1GRIK2FBP1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9260382-B2 Methods of reducing virulence in bacteria UWM RESEARCH FOUNDATION (US) 2016-02-16 US disclosed
US-9260382-B2 Methods of reducing virulence in bacteria UWM RESEARCH FOUNDATION (US) 2016-02-16 US disclosed
US-20120322769-A1 METHODS OF REDUCING VIRULENCE IN BACTERIA DUKE UNIVERSITY (US) 2012-12-20 US disclosed
US-20120322769-A1 METHODS OF REDUCING VIRULENCE IN BACTERIA DUKE UNIVERSITY (US) 2012-12-20 US disclosed
WO-2011103189-A1 METHODS OF REDUCING VIRULENCE IN BACTERIA UWM RESEARCH FOUNDATION, INC. (US) 2011-08-25 WO 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

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-20120322769-A1 METHODS OF REDUCING VIRULENCE IN BACTERIA PGLS, RRS1, MRPL21 CYP1A2 4659/4885CYP2C9 4560/4885GRIK1 1569/4885
US-20090287023-A1 METHOD FOR PRODUCING PRIMARY AMINE COMPOUND HRH3, HRH4, C5 CYP1A2 155/4885CYP2C9 317/4885GRIK1 2387/4885

“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.