SCHEMBL12102410

SCHEMBL12102410

[C-]#[N+]c1cc(-c2nnc(-c3cccc(CN4CCC(C(=O)OCC)CC4)c3CC)s2)ccc1CC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.43
ALDH1A1 P00352 6/20 0.43
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 5/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 3/20 0.39
TP53 P04637 1/20 0.39
ALOX12 P18054 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CCR8 P51685 1/20 0.39
MEN1 O00255 2/20 0.39
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.38
S1PR3 Q99500 1/20 0.38

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
SCHEMBL12102417 0.93 S1PR1 (0.51) S1PR1ALDH1A1KDM4EMAPTKMT2A
SCHEMBL12102680 0.91 S1PR1 (0.51) S1PR1POLBKMT2AS1PR3
SCHEMBL1293352 0.87 S1PR1 (0.58) S1PR1ALDH1A1TDP1KDM4EMAPT
SCHEMBL12102426 0.86 S1PR1 (0.49) S1PR1S1PR3
SCHEMBL12102674 0.86 S1PR1 (0.57) S1PR1S1PR3
SCHEMBL12102722 0.84 S1PR1 (0.60) S1PR1S1PR3
SCHEMBL12102361 0.82 S1PR1 (0.54) S1PR1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL12102735 0.81 S1PR1 (0.51) S1PR1S1PR3
SCHEMBL1293097 0.81 S1PR1 (0.58) S1PR1ALDH1A1KDM4EPOLBTSHR
SCHEMBL12102429 0.81 S1PR1 (0.51) S1PR1S1PR3

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-8389508-B2 Heterocyclic compounds GLAXO GROUP LIMITED (GB) 2013-03-05 US disclosed
US-20110269738-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-11-03 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-20110269738-A1 COMPOUNDS CYP11B2, CYP11B1, GPR119 S1PR1 1075/4885ALDH1A1 842/4885TDP1 2817/4885

“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.