SCHEMBL6914643

SCHEMBL6914643

NC(c1cccc(C(F)(F)F)c1)c1c[nH]cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.47
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
CES2 O00748 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
ACP3 P15309 1/20 0.38
OPRL1 P41146 3/20 0.37
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
DAO P14920 1/20 0.36
HSD11B1 P28845 1/20 0.35
SCN2A Q99250 1/20 0.35
TACR1 P25103 1/20 0.35
HRH1 P35367 1/20 0.35
HRH4 Q9H3N8 1/20 0.35

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 SCHEMBL1438646 0.99 PNMT (0.46) PNMTIDO1TDO2HTR2AHTR2C
SCHEMBL2105356 0.80 PNMT (0.43) PNMTIDO1TDO2ACP3DAO
SCHEMBL9679731 0.78 PNMT (0.59) PNMTIDO1TDO2HTR2AHTR2C
SCHEMBL17842112 0.77 PNMT (0.49) PNMTIDO1TDO2HTR2AHTR2C
SCHEMBL4535035 0.76 DPP4 (0.38)
SCHEMBL3836311 0.73 IDO1 (0.60) PNMTIDO1TDO2HTR2AHTR2C
SCHEMBL8113192 0.72 PNMT (0.37) PNMTIDO1TDO2DAO
Hydrochloric Acid SCHEMBL11876965 0.72 IDO1 (0.63) PNMTIDO1TDO2HTR2AHTR2C
SCHEMBL4386660 0.71 PNMT (0.43) PNMTIDO1TDO2HTR2AHTR2C
SCHEMBL24017114 0.70 PNMT (0.59) PNMTIDO1TDO2HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120208852-A1 Heterocyclic-substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-16 US disclosed
US-20120208852-A1 Heterocyclic-substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-16 US disclosed
WO-2011023703-A1 HETEROCYCLIC-SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-03 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 (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-20120208852-A1 Heterocyclic-substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof AADAC, NAT1, TNNI3 PNMT 1343/4885IDO1 1929/4885TDO2 2061/4885

“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.