SCHEMBL1425473

SCHEMBL1425473

COc1cc(C(N)=NO)ncc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NNMT P40261 1/20 0.35
PLAU P00749 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SIRT6 Q8N6T7 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
DHFR P00374 1/20 0.33
GFER P55789 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM1A O60341 1/20 0.33

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
SCHEMBL1179356 0.82 NOS3 (0.45) RECQLGAALMNANNMTPLAU
SCHEMBL22367073 0.80 NPSR1 (0.47) RECQLGAASMN1; SMN2NPSR1PDE4A
SCHEMBL20116607 0.80 NPSR1 (0.47) RECQLGAASMN1; SMN2NPSR1PDE4A
SCHEMBL1425220 0.74 GPR35 (0.50) SIRT6L3MBTL1
SCHEMBL30028650 0.74 GPR35 (0.50) SIRT6L3MBTL1
SCHEMBL23714349 0.72 MAPK1 (0.47) LMNASMN1; SMN2NPSR1L3MBTL1
SCHEMBL30111868 0.72 MAPK1 (0.47) LMNASMN1; SMN2NPSR1L3MBTL1
Hydrochloric Acid SCHEMBL26638664 0.72 GPR35 (0.49) SIRT6KMT2AL3MBTL1
Potassium SCHEMBL1425033 0.72 GPR35 (0.49) SIRT6KMT2AL3MBTL1
SCHEMBL1425031 0.72 GPR35 (0.49) SIRT6KMT2AL3MBTL1

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-8598208-B2 Pyridine derivatives as S1P1/EDG1 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2013-12-03 US disclosed
US-20110212998-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
EP-2195311-B1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2011-03-23 EP disclosed
EP-2195311-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2010-06-16 EP disclosed
WO-2009024905-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2009-02-26 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-20110212998-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 RECQL 3550/4885GAA 4126/4885LMNA 4288/4885

“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.