SCHEMBL1313385

SCHEMBL1313385

CCCCCCCc1nnc(-c2ccc(CN)cc2)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 4/20 0.50
MAPT P10636 3/20 0.50
SPHK2 Q9NRA0 4/20 0.49
NOTUM Q6P988 1/20 0.46
HTR2A P28223 1/20 0.42
KMT2A Q03164 2/20 0.42
ALOX12 P18054 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
DDX3X O00571 1/20 0.41
DGAT1 O75907 1/20 0.41
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL1313658 0.86 SPHK1 (0.53) SPHK1MAPTSPHK2NOTUMKMT2A
SCHEMBL7524142 0.82 MAPT (0.52) SPHK1MAPTSPHK2DDX3XDGAT1
SCHEMBL7520338 0.82 MAPT (0.52) SPHK1MAPTSPHK2DDX3XDGAT1
SCHEMBL6743731 0.82 ALDH1A1 (0.56) MAPTNOTUMKMT2AKDM4ERAB9A
SCHEMBL17242460 0.81 NPC1 (0.56) SPHK1MAPTKMT2AKDM4ERAB9A
SCHEMBL3265620 0.80 MAPT (0.78) MAPTKMT2AKDM4ERAB9AMEN1
SCHEMBL2536135 0.79 MAPT (0.48) SPHK1MAPTSPHK2NOTUMKMT2A
SCHEMBL4788167 0.79 NPC1 (0.56) SPHK1MAPTNOTUMKMT2ACA1
SCHEMBL12419540 0.79 LPL (0.53) SPHK1MAPTSPHK2CA1CA2
SCHEMBL1312326 0.78 MAPT (0.46) SPHK1MAPTSPHK2KMT2AALOX12

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 4 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
US-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION 2011-11-10 US disclosed
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 1/4885MAPT 2370/4885SPHK2 2/4885

“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.