SCHEMBL2619474

SCHEMBL2619474

[C-]#[N+]c1cc(-c2nnc(-c3ccc(OCCCNC)cc3CC)s2)ccc1OC(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.39
KDM4E B2RXH2 1/20 0.38
NSD2 O96028 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
S1PR3 Q99500 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
XIAP P98170 1/20 0.36
HDAC1 Q13547 5/20 0.35
HDAC2 Q92769 5/20 0.35
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL2619496 0.89 S1PR1 (0.41) S1PR1KDM4ENSD2ALDH1A1SMN1; SMN2
SCHEMBL2619475 0.87 S1PR1 (0.49) S1PR1S1PR3HDAC1HDAC2HDAC8
SCHEMBL2619447 0.85 S1PR1 (0.42) S1PR1S1PR3XIAPHDAC1HDAC2
SCHEMBL2133075 0.85 S1PR1 (0.54) S1PR1
SCHEMBL2619482 0.85 S1PR1 (0.39) S1PR1KDM4ENSD2ALDH1A1SMN1; SMN2
SCHEMBL2619448 0.81 S1PR1 (0.38) S1PR1KDM4EALDH1A1SMN1; SMN2S1PR3
SCHEMBL2619490 0.79 S1PR1 (0.42) S1PR1S1PR3
SCHEMBL2619495 0.77 S1PR1 (0.51) S1PR1S1PR3
SCHEMBL2619472 0.75 S1PR1 (0.43) S1PR1S1PR3
SCHEMBL2135744 0.74 S1PR1 (0.56) S1PR1KDM4ENSD2ALDH1A1SMN1; 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-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 1/4885KDM4E 3897/4885NSD2 4370/4885

“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.