SCHEMBL10113694

SCHEMBL10113694

CCOC(=O)Cn1ccc2c(C#N)cccc21

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.71
POLB P06746 2/20 0.53
ALDH1A1 P00352 6/20 0.52
TDP1 Q9NUW8 1/20 0.52
KDM4E B2RXH2 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
STAT3 P40763 1/20 0.45
MEN1 O00255 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44

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
SCHEMBL399775 0.88 MAPT (0.58) MAPTPOLBALDH1A1TDP1KDM4E
SCHEMBL28808827 0.87 POLB (0.70) MAPTPOLBALDH1A1KDM4EKMT2A
SCHEMBL402848 0.85 MAPT (0.56) MAPTPOLBALDH1A1TDP1LMNA
SCHEMBL16234643 0.82 STAT3 (0.50) MAPTPOLBALDH1A1TDP1KMT2A
SCHEMBL13261931 0.82 ALDH1A1 (0.54) MAPTPOLBALDH1A1TDP1KDM4E
SCHEMBL879966 0.81 ALDH1A1 (0.53) MAPTPOLBALDH1A1TDP1KDM4E
SCHEMBL3874161 0.81 ALDH1A1 (0.53) MAPTPOLBALDH1A1TDP1KDM4E
SCHEMBL2777064 0.81 STAT3 (0.67) MAPTPOLBALDH1A1TDP1KDM4E
SCHEMBL17924282 0.80 ALDH1A1 (0.59) MAPTPOLBALDH1A1KDM4EKMT2A
SCHEMBL849754 0.80 ALDH1A1 (0.52) MAPTPOLBALDH1A1TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101775-B2 Indole derivatives as S1P1 Receptor GLAXO GROUP LIMITED (GB) 2012-01-24 US disclosed
US-8101775-B2 Indole derivatives as S1P1 Receptor GLAXO GROUP LIMITED (GB) 2012-01-24 US disclosed
EP-2091949-B1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2011-05-18 EP disclosed
US-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR GLAXO GROUP LIMITED 2010-05-06 US disclosed
US-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR GLAXO GROUP LIMITED 2010-05-06 US disclosed
WO-2008074821-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-06-26 WO 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-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR S1PR1, S1PR3, S1PR2 MAPT 2930/4885POLB 4380/4885ALDH1A1 1154/4885

“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.