SCHEMBL15908736

SCHEMBL15908736

CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2n1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
NOD2 Q9HC29 1/20 0.54
NOD1 Q9Y239 1/20 0.54
ELANE P08246 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
F2 P00734 2/20 0.45
PLAU P00749 2/20 0.45
CTRB1 P17538 2/20 0.45
CACNA1C Q13936 2/20 0.45
CACNA1F O60840 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CACNA1D Q01668 1/20 0.45
CACNA1S Q13698 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MITF O75030 1/20 0.44

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
SCHEMBL4203356 0.86 MAPT (0.59) MAPTNOD2NOD1ELANESMN1; SMN2
SCHEMBL31383537 0.86 MAPT (0.59) MAPTNOD2NOD1ELANESMN1; SMN2
SCHEMBL4196083 0.85 NOD2 (0.54) MAPTNOD2NOD1ELANESMN1; SMN2
SCHEMBL3638008 0.84 NOD2 (0.53) MAPTNOD2NOD1ELANESMN1; SMN2
SCHEMBL23045577 0.83 NOD2 (0.52) MAPTNOD2NOD1ELANESMN1; SMN2
SCHEMBL5889460 0.83 MAPT (0.53) MAPTNOD2NOD1ELANESMN1; SMN2
SCHEMBL31383470 0.83 NOD2 (0.52) MAPTNOD2NOD1ELANESMN1; SMN2
SCHEMBL23045588 0.82 NOD2 (0.51) MAPTNOD2NOD1ELANESMN1; SMN2
SCHEMBL23045560 0.82 NOD2 (0.51) MAPTNOD2NOD1ELANESMN1; SMN2
SCHEMBL29463273 0.82 NOD2 (0.51) MAPTNOD2NOD1ELANESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447105-B2 Triazine compounds and a process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-09-20 US disclosed
US-9447105-B2 Triazine compounds and a process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-09-20 US disclosed
US-20150353566-A1 TRIAZINE COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-12-10 US disclosed
US-20150353566-A1 TRIAZINE COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-12-10 US disclosed
WO-2014115171-A1 TRIAZINE COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-07-31 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-20150353566-A1 TRIAZINE COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF TPH2, IDO2, INMT MAPT 159/4885NOD2 1110/4885NOD1 2245/4885

“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.