SCHEMBL3276290

SCHEMBL3276290

CCN(CC)c1cc(-c2nc(-c3ccc(O)cc3Cl)no2)cc(C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.41
S1PR3 Q99500 1/20 0.41
HPGD P15428 2/20 0.40
NPC1 O15118 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RAB9A P51151 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RARA P10276 3/20 0.37
RARB P10826 3/20 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
SCHEMBL3283082 0.85 SMN1; SMN2 (0.43) S1PR1S1PR3HPGDNPC1NPSR1
SCHEMBL3281188 0.80 S1PR1 (0.49) S1PR1S1PR3HPGD
SCHEMBL3281205 0.80 S1PR1 (0.49) S1PR1S1PR3HPGD
SCHEMBL3275732 0.80 S1PR1 (0.50) S1PR1S1PR3NPC1MAPTPKM
SCHEMBL3277735 0.77 S1PR1 (0.53) S1PR1S1PR3NPC1RAB9A
SCHEMBL3276888 0.77 S1PR1 (0.49) S1PR1S1PR3HPGDNPC1MAPT
SCHEMBL13384700 0.77 NPC1 (0.51) S1PR1S1PR3NPC1NPSR1MAPT
SCHEMBL3280594 0.75 TP53 (0.52) S1PR1HPGDNPC1NPSR1MAPT
SCHEMBL3282469 0.75 S1PR1 (0.53) S1PR1S1PR3NPC1NPSR1MAPT
SCHEMBL3275531 0.75 S1PR1 (0.47) S1PR1S1PR3NPC1MAPTPKM

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 S1PR1 1/4885S1PR3 2/4885HPGD 1761/4885

“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.