SCHEMBL13525822

SCHEMBL13525822

CCOc1ccc(-c2nc(-c3ccc(CN(C)C)cc3)no2)cc1O

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 17/20 0.81
▸ S1PR3 Q99500 9/20 0.63
▸ KDM4E B2RXH2 2/20 0.57
▸ HSD17B10 Q99714 2/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ MAPT P10636 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL13417010 0.90 S1PR1 (1.00) S1PR1S1PR3KDM4EHSD17B10NPC1
SCHEMBL20169182 0.86 S1PR1 (0.89) S1PR1S1PR3KDM4EHSD17B10NPC1
SCHEMBL14327909 0.85 S1PR1 (0.83) S1PR1S1PR3KDM4EHSD17B10NPC1
SCHEMBL14331460 0.84 S1PR1 (0.89) S1PR1S1PR3KDM4EHSD17B10NPC1
SCHEMBL13417013 0.79 S1PR1 (1.00) S1PR1S1PR3KDM4EHSD17B10NPC1
SCHEMBL13416965 0.78 S1PR1 (0.79) S1PR1S1PR3KDM4EHSD17B10NPC1
SCHEMBL13525819 0.77 S1PR1 (0.81) S1PR1S1PR3KDM4EHSD17B10NPC1
SCHEMBL13416964 0.77 S1PR1 (1.00) S1PR1S1PR3KDM4EHSD17B10NPC1
SCHEMBL13417011 0.77 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL14329293 0.76 S1PR1 (0.82) S1PR1S1PR3KDM4EHSD17B10NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100010001-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-01-14 — — US 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-20100010001-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR4 S1PR1 1/4885S1PR3 2/4885KDM4E 3299/4885

“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.

Send feedback