SCHEMBL1879882

SCHEMBL1879882

CCOC(=O)C(C)NNc1cc(Cl)cc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 6/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 2/20 0.41
RAPGEF3 O95398 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ABCB1 P08183 1/20 0.38
RAPGEF4 Q8WZA2 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
ATM Q13315 1/20 0.37
DHODH Q02127 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL1405492 0.90 RAPGEF3 (0.43) L3MBTL1GAAMAPTALDH1A1RAPGEF3
SCHEMBL4411793 0.84 L3MBTL1 (0.41) L3MBTL1GAAMAPTALDH1A1SMN1; SMN2
SCHEMBL4411790 0.84 L3MBTL1 (0.41) L3MBTL1GAAMAPTALDH1A1SMN1; SMN2
SCHEMBL7088222 0.82 ALDH1A1 (0.43) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL1405519 0.81 GAA (0.40) GAAMAPTALDH1A1SMN1; SMN2TDP1
SCHEMBL1877841 0.80 TSHR (0.51) MAPTRAPGEF3SMN1; SMN2MEN1KMT2A
SCHEMBL29176936 0.75 ABCB1 (0.41) GAAMAPTALDH1A1SMN1; SMN2ABCB1
SCHEMBL9416789 0.75 ALDH1A1 (0.46) L3MBTL1GAAMAPTALDH1A1SMN1; SMN2
SCHEMBL30929805 0.73 TDP1 (0.41) GAAALDH1A1SMN1; SMN2TDP1MEN1
SCHEMBL30929806 0.73 ALDH1A1 (0.42) GAAMAPTALDH1A1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935674-B2 Indole derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-05-03 US disclosed
CN-101111492-B Indole derivatives TANABE SEIYAKU CO 2010-09-22 CN disclosed
US-20090258921-A1 INDOLE DERIVATIVES NOMURA SUMIHIRO 2009-10-15 US disclosed
US-20080119422-A1 Indole Derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-05-22 US disclosed
CN-101111492-A Indole derivatives TANABE SEIYAKU CO (JP) 2008-01-23 CN disclosed
EP-1863798-A1 INDOLE DERIVATIVES Mitsubishi Tanabe Pharma Corporation (JP) 2007-12-12 EP disclosed
WO-2006080577-A1 INDOLE DERIVATIVES TANABE SEIYAKU CO., LTD. (JP) 2006-08-03 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 (2 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-20090258921-A1 INDOLE DERIVATIVES IDO1, TPH1, NAT1 L3MBTL1 2915/4885GAA 4689/4885MAPT 1632/4885
US-20080119422-A1 Indole Derivatives IDO1, TPH1, NAT1 L3MBTL1 2915/4885GAA 4689/4885MAPT 1632/4885

“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.