SCHEMBL8738244

SCHEMBL8738244

COC(=O)c1cn(Cc2ccc(C)c(C)c2)c2ccc(C)cc12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 3/20 0.45
ALDH1A1 P00352 2/20 0.45
NR4A2 P43354 2/20 0.45
MAPT P10636 4/20 0.44
GAA P10253 2/20 0.43
TP53 P04637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SERPINE1 P05121 1/20 0.41

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
SCHEMBL6116492 0.86 MEN1 (0.48) POLBSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL6115727 0.80 P2RY12 (0.45) SMN1; SMN2LMNA
SCHEMBL6117360 0.78 P2RY12 (0.43) POLBSMN1; SMN2LMNA
SCHEMBL4038440 0.78 NR4A2 (0.49) SMN1; SMN2LMNANR4A2MAPTGAA
SCHEMBL8738758 0.74 S1PR1 (0.47) LMNAALDH1A1TP53
SCHEMBL8358799 0.73 NR4A2 (0.53) LMNAALDH1A1NR4A2MAPTGAA
SCHEMBL18284180 0.73 IDO1 (0.49) LMNANR4A2GAA
SCHEMBL8356414 0.72 LMNA (0.70) LMNAALDH1A1NR4A2SERPINE1
SCHEMBL7524478 0.72 DYRK1A (0.46) SMN1; SMN2LMNANR4A2MAPTGAA
SCHEMBL2430574 0.70 NR4A2 (0.72) LMNAALDH1A1NR4A2MAPTGAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530462-B2 Indole modulators of S1P receptors ALLERGAN, INC. (US) 2013-09-10 US disclosed
US-8530462-B2 Indole modulators of S1P receptors ALLERGAN, INC. (US) 2013-09-10 US disclosed
WO-2012071184-A1 INDOLE DERIVATIVES AS MODULATORS OF S1P RECEPTORS ALLERGAN, INC. (US) 2012-05-31 WO disclosed
US-20120129829-A1 NOVEL INDOLE MODULATORS OF S1P RECEPTORS ALLERGAN, INC. (US) 2012-05-24 US disclosed
US-20120129829-A1 NOVEL INDOLE MODULATORS OF S1P RECEPTORS ALLERGAN, INC. (US) 2012-05-24 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-20120129829-A1 NOVEL INDOLE MODULATORS OF S1P RECEPTORS S1PR1, S1PR3, S1PR2 POLB 4822/4885SMN1; SMN2 4319/4885LMNA 4053/4885

“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.