SCHEMBL13525317

SCHEMBL13525317

COc1cc(-c2nc(-c3cccnc3C)no2)ccc1C

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 17/20 0.65
▸ S1PR3 Q99500 1/20 0.63
▸ KDM4E B2RXH2 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ NPC1 O15118 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ HPGD P15428 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ MAPT P10636 1/20 0.52

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
SCHEMBL16520792 0.86 NPC1 (0.59) S1PR1S1PR3KDM4EALDH1A1HSD17B10
SCHEMBL2788271 0.80 S1PR1 (0.81) S1PR1KDM4EALDH1A1HSD17B10NPC1
SCHEMBL16523151 0.80 S1PR1 (0.66) S1PR1S1PR3NPC1RAB9ATSHR
SCHEMBL13416802 0.79 S1PR1 (1.00) S1PR1S1PR3ALDH1A1NPC1RAB9A
SCHEMBL13416325 0.79 S1PR1 (0.77) S1PR1S1PR3NPC1RAB9ASMN1; SMN2
SCHEMBL13416335 0.78 S1PR1 (1.00) S1PR1S1PR3NPC1RAB9ASMN1; SMN2
SCHEMBL13416333 0.78 S1PR1 (0.78) S1PR1S1PR3KDM4EHSD17B10NPC1
SCHEMBL23019831 0.78 S1PR1 (1.00) S1PR1S1PR3KDM4EHSD17B10NPC1
SCHEMBL13525245 0.77 NPC1 (0.80) S1PR1KDM4EALDH1A1HSD17B10NPC1
SCHEMBL13416330 0.77 S1PR1 (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170050941-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-02-23 — — US disclosed
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
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 (2 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-20170050941-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885KDM4E 3584/4885
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