SCHEMBL3283082

SCHEMBL3283082

CCN(CC)c1cc(-c2nc(-c3ccc(O)cc3OC)no2)cc(C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 3/20 0.43
HPGD P15428 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ALDH1A1 P00352 3/20 0.43
TSHR P16473 3/20 0.43
TP53 P04637 3/20 0.43
S1PR1 P21453 6/20 0.43
S1PR3 Q99500 1/20 0.42
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
HTT P42858 1/20 0.40
TPH1 P17752 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL3280594 0.88 TP53 (0.52) SMN1; SMN2KDM4EHSD17B10HPGDNPSR1
SCHEMBL3276290 0.85 S1PR1 (0.41) SMN1; SMN2HSD17B10HPGDNPSR1TSHR
SCHEMBL3218117 0.84 KDM4E (0.46) SMN1; SMN2KDM4EHSD17B10HPGDNPSR1
SCHEMBL3276801 0.81 S1PR1 (0.49) SMN1; SMN2KDM4EHSD17B10HPGDNPSR1
SCHEMBL4443234 0.81 S1PR1 (0.49) SMN1; SMN2KDM4EHSD17B10HPGDNPSR1
SCHEMBL3275696 0.81 HSD17B10 (0.54) SMN1; SMN2KDM4EHSD17B10HPGDNPSR1
SCHEMBL3216601 0.81 KDM4E (0.43) SMN1; SMN2KDM4EHSD17B10HPGDNPSR1
SCHEMBL3276888 0.79 S1PR1 (0.49) SMN1; SMN2KDM4EHSD17B10HPGDALDH1A1
SCHEMBL3277735 0.75 S1PR1 (0.53) S1PR1S1PR3RAB9ANPC1
SCHEMBL13384700 0.75 NPC1 (0.51) SMN1; SMN2NPSR1ALDH1A1TP53S1PR1

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
EP-2125797-B1 AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2014-01-15 EP disclosed
US-8592460-B2 Amino-pyridine derivatives as S1P1 /EDG1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-26 US disclosed
US-20100087417-A1 AMINO-PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-04-08 US disclosed
EP-2125797-A1 AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-12-02 EP disclosed
WO-2008114157-A1 AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-09-25 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-20100087417-A1 AMINO-PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR4 SMN1; SMN2 3615/4885KDM4E 879/4885HSD17B10 4434/4885

“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.