SCHEMBL3219478

SCHEMBL3219478

C=CCOc1ccccc1C(=N)NO

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIG1 P18858 1/20 0.68
HPGD P15428 2/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
ADRB3 P13945 1/20 0.44
SLC22A1 O15245 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
HTR1A P08908 1/20 0.43
CYP2D6 P10635 1/20 0.43
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL7723507 0.80 LIG1 (0.58) LIG1HPGDTSHRMAPK1HSD17B10
Hydrochloric Acid SCHEMBL7722654 0.79 LIG1 (0.56) LIG1HPGDTSHRMAPK1HSD17B10
SCHEMBL2789851 0.78 HCRTR1 (0.54) HPGDMAPK1HSD17B10MEN1KMT2A
SCHEMBL3343024 0.77 LIG1 (0.44) LIG1HPGDTSHRMAPK1HSD17B10
SCHEMBL9696302 0.76 LIG1 (0.71) LIG1HPGDTSHRMAPK1HSD17B10
SCHEMBL8718047 0.75 KMT2A (0.48) ADRB2ADRB1ADRB3LMNAMEN1
SCHEMBL29519569 0.75 LIG1 (0.69) LIG1HPGDTSHRMAPK1HSD17B10
SCHEMBL9474674 0.75 LIG1 (0.59) LIG1HPGDTSHRMAPK1HSD17B10
SCHEMBL40310 0.75 LIG1 (0.69) LIG1HPGDTSHRMAPK1HSD17B10
SCHEMBL7934772 0.75 LIG1 (0.59) LIG1HPGDTSHRMAPK1HSD17B10

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-8580824-B2 Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-12 US disclosed
EP-2069336-B1 PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2012-12-26 EP disclosed
US-20100063108-A1 Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2010-03-11 US disclosed
EP-2069336-A1 PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 EP disclosed
WO-2008029371-A1 PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-13 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-20100063108-A1 Pyridin-4-yl derivatives as immunomodulating agents CD4, FCGRT, IL2 LIG1 2411/4885HPGD 566/4885TSHR 698/4885

“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.