SCHEMBL257268

SCHEMBL257268

NCC(OC(N)=O)c1cccc(Cl)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 1/20 0.42
NFKB1 P19838 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
AVPR2 P30518 1/20 0.39
AVPR1A P37288 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
ADRA2A P08913 2/20 0.37
HTR1A P08908 1/20 0.37
CYP2C9 P11712 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL255995 0.87 NISCH (0.44) AVPR2AVPR1AIDO1TDO2NISCH
SCHEMBL28990761 0.81 CYP1A2 (0.41) PNMTCYP3A4CYP2D6CYP1A2NFKB1
SCHEMBL28806267 0.79 MAPK1 (0.44) PNMTCYP3A4CYP2D6CYP1A2NFKB1
SCHEMBL28990758 0.77 CYP1A2 (0.37) PNMTCYP3A4CYP2D6CYP1A2NFKB1
SCHEMBL28990550 0.77 CYP1A2 (0.37) PNMTCYP3A4CYP2D6CYP1A2NFKB1
SCHEMBL3815968 0.74 CASP1 (0.39) MEN1KMT2AAVPR2AVPR1AIDO1
SCHEMBL3436024 0.74 CYP1A2 (0.49) PNMTCYP3A4CYP2D6CYP1A2NFKB1
SCHEMBL18567957 0.74 CYP1A2 (0.49) PNMTCYP3A4CYP2D6CYP1A2NFKB1
SCHEMBL3436132 0.74 CYP1A2 (0.49) PNMTCYP3A4CYP2D6CYP1A2NFKB1
SCHEMBL3435796 0.74 CYP1A2 (0.49) PNMTCYP3A4CYP2D6CYP1A2NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9180120-B2 Substituted N-phenethyltriazoloneacetamides and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-10 US disclosed
US-9180120-B2 Substituted N-phenethyltriazoloneacetamides and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-10 US disclosed
US-9180120-B2 Substituted N-phenethyltriazoloneacetamides and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-10 US disclosed
EP-2619188-B1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER IP GMBH (DE) 2015-05-06 EP disclosed
US-20130225646-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-29 US disclosed
US-20130225646-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-29 US disclosed
US-20130225646-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-29 US disclosed
WO-2012028644-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-08 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-20130225646-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF TNNT2, TNNI3, PNMT PNMT 3/4885CYP3A4 558/4885CYP2D6 1528/4885

“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.