SCHEMBL2619449

SCHEMBL2619449

[C-]#[N+]c1cc(-c2nnc(Br)o2)ccc1OC(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
MAPK1 P28482 2/20 0.37
MAPT P10636 2/20 0.37
PRNP P04156 1/20 0.37
ALPG P10696 1/20 0.37
HSD17B10 Q99714 1/20 0.37
S1PR1 P21453 9/20 0.36
S1PR5 Q9H228 3/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
KCNH2 Q12809 2/20 0.34
S1PR3 Q99500 2/20 0.34
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL2619445 0.85 PIM1 (0.44) KDM4EHSD17B10S1PR1S1PR5KMT2A
SCHEMBL2124854 0.80 S1PR1 (0.50) S1PR1S1PR3
SCHEMBL2133047 0.78 S1PR1 (0.53) S1PR1S1PR5KCNH2S1PR3
SCHEMBL2602128 0.71 SNCA (0.45) S1PR1S1PR5KCNH2S1PR3
SCHEMBL2619470 0.71 S1PR1 (0.38) S1PR1S1PR3
SCHEMBL12434090 0.69 S1PR1 (0.58) KDM4EMAPTHSD17B10S1PR1S1PR5
SCHEMBL2619482 0.69 S1PR1 (0.39) KDM4EMAPTHSD17B10S1PR1S1PR5
SCHEMBL12434084 0.69 S1PR1 (0.59) S1PR1S1PR3
SCHEMBL2602123 0.68 PDPK1 (0.41) S1PR1S1PR3
SCHEMBL12434085 0.68 S1PR1 (0.53) S1PR1KCNH2S1PR3

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-20120101134-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
US-20120101136-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1- PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED 2012-04-26 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-20120101136-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1- PHOSPHATE RECEPTOR AGONISTS S1PR1, S1PR5, S1PR3 KDM4E 3897/4885MAPK1 1599/4885MAPT 3826/4885
US-20120101134-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS S1PR1, S1PR5, S1PR3 KDM4E 3897/4885MAPK1 1599/4885MAPT 3826/4885

“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.