SCHEMBL1312871

SCHEMBL1312871

CCCCCc1nc(-c2ccc(CN)cc2)no1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 6/20 0.62
PPARA Q07869 1/20 0.58
S1PR1 P21453 2/20 0.56
S1PR2 O95136 1/20 0.56
S1PR3 Q99500 1/20 0.56
LPAR2 Q9HBW0 1/20 0.56
SPHK2 Q9NRA0 2/20 0.54
SIRT2 Q8IXJ6 4/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 1/20 0.54
ATM Q13315 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NOTUM Q6P988 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49

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
SCHEMBL1314770 0.99 SPHK1 (0.64) SPHK1PPARAS1PR1S1PR2S1PR3
SCHEMBL1312757 0.99 SPHK1 (0.64) SPHK1PPARAS1PR1S1PR2S1PR3
SCHEMBL1312134 0.99 SPHK1 (0.64) SPHK1PPARAS1PR1S1PR2S1PR3
SCHEMBL3266257 0.89 SPHK1 (0.66) SPHK1PPARAS1PR1S1PR2S1PR3
SCHEMBL26887336 0.88 SPHK1 (0.68) SPHK1PPARAS1PR1S1PR2S1PR3
SCHEMBL15176192 0.87 SPHK1 (0.71) SPHK1S1PR1SPHK2NPC1RAB9A
SCHEMBL26887338 0.87 SPHK1 (0.71) SPHK1S1PR1SPHK2NPC1RAB9A
SCHEMBL1312625 0.87 SPHK1 (0.71) SPHK1S1PR1SPHK2NPC1RAB9A
SCHEMBL3264894 0.87 SPHK1 (0.67) SPHK1PPARAS1PR1S1PR2S1PR3
SCHEMBL26887329 0.86 SPHK1 (0.70) SPHK1PPARAS1PR1S1PR2S1PR3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION 2011-11-10 US disclosed
WO-2010033701-A2 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION (US) 2010-03-25 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-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 SPHK1, SPHK2, S1PR1 SPHK1 1/4885PPARA 2761/4885S1PR1 3/4885

“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.