SCHEMBL2619482

SCHEMBL2619482

[C-]#[N+]c1cc(-c2nnc(-c3ccc(OCCCNC)cc3CC)o2)ccc1OC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.39
S1PR5 Q9H228 1/20 0.39
CYP2C9 P11712 1/20 0.38
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 6/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NSD2 O96028 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HSD17B10 Q99714 4/20 0.34
MAPT P10636 4/20 0.34
TSHR P16473 3/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
LMNA P02545 2/20 0.34
ALOX15 P16050 1/20 0.32
HPGD P15428 3/20 0.32
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL2619484 0.87 S1PR1 (0.50) S1PR1S1PR5CYP2C9
SCHEMBL2135084 0.85 S1PR1 (0.53) S1PR1S1PR5CYP2C9
SCHEMBL2619444 0.85 S1PR1 (0.42) S1PR1S1PR5CYP2C9KDM4EALDH1A1
SCHEMBL2619474 0.85 S1PR1 (0.39) S1PR1KDM4EALDH1A1SMN1; SMN2NSD2
SCHEMBL2619490 0.84 S1PR1 (0.42) S1PR1S1PR5
SCHEMBL2619496 0.82 S1PR1 (0.41) S1PR1S1PR5CYP2C9KDM4EALDH1A1
SCHEMBL2619446 0.81 S1PR1 (0.39) S1PR1S1PR5CYP2C9MAPTTSHR
SCHEMBL2619492 0.77 S1PR1 (0.46) S1PR1S1PR5
SCHEMBL2619468 0.76 S1PR3 (0.43) S1PR1S1PR5KDM4EALDH1A1HSD17B10
SCHEMBL2619465 0.75 S1PR3 (0.44) S1PR1S1PR5KDM4EALDH1A1HSD17B10

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-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 (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-20120101136-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1- PHOSPHATE RECEPTOR AGONISTS S1PR1, S1PR5, S1PR3 S1PR1 1/4885S1PR5 2/4885CYP2C9 3708/4885

“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.