SCHEMBL3275696

SCHEMBL3275696

CCN(CC)c1cc(-c2nc(-c3cccc(OC)c3OC)no2)cc(C)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.54
ALDH1A1 P00352 6/20 0.54
KDM4E B2RXH2 5/20 0.54
TP53 P04637 9/20 0.52
SMN1; SMN2 Q16637 8/20 0.52
RAB9A P51151 6/20 0.52
NPC1 O15118 5/20 0.52
MAPT P10636 4/20 0.52
HPGD P15428 4/20 0.51
NPSR1 Q6W5P4 2/20 0.51
TSHR P16473 3/20 0.48
POLB P06746 1/20 0.48
S1PR1 P21453 3/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
TUBB4A P04350 2/20 0.46
TUBB P07437 2/20 0.46
TUBA3C P0DPH7 2/20 0.46
TUBA1B P68363 2/20 0.46
TUBA4A P68366 2/20 0.46

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 0.82 TP53 (0.52) HSD17B10ALDH1A1KDM4ETP53SMN1; SMN2
SCHEMBL3283082 0.81 SMN1; SMN2 (0.43) HSD17B10ALDH1A1KDM4ETP53SMN1; SMN2
SCHEMBL3276888 0.75 S1PR1 (0.49) HSD17B10ALDH1A1KDM4ETP53SMN1; SMN2
SCHEMBL13384700 0.75 NPC1 (0.51) ALDH1A1TP53SMN1; SMN2RAB9ANPC1
SCHEMBL3276801 0.74 S1PR1 (0.49) HSD17B10ALDH1A1KDM4ETP53SMN1; SMN2
SCHEMBL4443234 0.74 S1PR1 (0.49) HSD17B10ALDH1A1KDM4ETP53SMN1; SMN2
SCHEMBL13384705 0.73 RAB9A (0.54) HSD17B10ALDH1A1KDM4ETP53SMN1; SMN2
SCHEMBL3277735 0.73 S1PR1 (0.53) RAB9ANPC1S1PR1
SCHEMBL1425008 0.73 S1PR1 (0.52) HSD17B10ALDH1A1TP53SMN1; SMN2RAB9A
SCHEMBL3276290 0.72 S1PR1 (0.41) HSD17B10TP53SMN1; SMN2RAB9ANPC1

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 7 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
CN-101627034-B amino-pyridine derivatives as S1P1/EDG1 receptor agonists ACTELION PHARMACEUTICALS LTD 2013-05-15 CN disclosed
US-20100087417-A1 AMINO-PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-04-08 US disclosed
CN-101627034-A Amino-pyridine derivatives as S1P1/EDG1 receptor agonists ACTELION PHARMACEUTICALS LTD 2010-01-13 CN 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 HSD17B10 4434/4885ALDH1A1 2789/4885KDM4E 879/4885

“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.