SCHEMBL13525849

SCHEMBL13525849

Cc1cnccc1-c1noc(-c2ccc(-c3ccccc3)c(CF)c2)n1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 12/20 0.70
▸ S1PR3 Q99500 4/20 0.70
▸ NR1H4 Q96RI1 1/20 0.45
▸ NPC1 O15118 5/20 0.43
▸ RAB9A P51151 5/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ TP53 P04637 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ AHR P35869 1/20 0.43

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
SCHEMBL13525831 0.84 S1PR1 (0.68) S1PR1S1PR3NPC1RAB9ASMN1; SMN2
SCHEMBL13525847 0.84 S1PR1 (0.67) S1PR1S1PR3NR1H4NPC1RAB9A
SCHEMBL13417276 0.83 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL13525830 0.81 S1PR1 (0.70) S1PR1S1PR3NPC1RAB9ASMN1; SMN2
SCHEMBL14327885 0.78 S1PR1 (0.69) S1PR1S1PR3NR1H4NPC1RAB9A
SCHEMBL14327886 0.77 S1PR1 (0.73) S1PR1S1PR3NPC1RAB9ASMN1; SMN2
SCHEMBL13525827 0.75 S1PR1 (0.70) S1PR1S1PR3NR1H4NPC1RAB9A
SCHEMBL14327860 0.74 S1PR1 (0.59) S1PR1S1PR3NR1H4NPC1RAB9A
SCHEMBL13416322 0.74 S1PR1 (1.00) S1PR1S1PR3NPC1RAB9A
SCHEMBL13417067 0.73 S1PR1 (1.00) S1PR1S1PR3NPC1RAB9ASMN1; SMN2

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 2/4885NR1H4 632/4885

“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.

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