SCHEMBL2183871

SCHEMBL2183871

CC(C#N)c1cccc(Cl)n1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
IDH1 O75874 7/20 0.40
IDH2 P48735 6/20 0.40
ALDH1A1 P00352 7/20 0.36
GAA P10253 4/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33

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
SCHEMBL179546 0.79 L3MBTL1 (0.46) L3MBTL1IDH1IDH2ALDH1A1GAA
SCHEMBL16419621 0.77 L3MBTL1 (0.44) L3MBTL1IDH1IDH2ALDH1A1GAA
SCHEMBL1195882 0.76 NOS3 (0.43) L3MBTL1IDH1ALDH1A1SMN1; SMN2
SCHEMBL17683928 0.75 L3MBTL1 (0.49) L3MBTL1IDH1IDH2ALDH1A1GAA
SCHEMBL24774178 0.75 L3MBTL1 (0.43) L3MBTL1IDH1IDH2ALDH1A1GAA
SCHEMBL12891555 0.75 L3MBTL1 (0.43) L3MBTL1IDH1IDH2ALDH1A1GAA
SCHEMBL29793734 0.75 L3MBTL1 (0.43) L3MBTL1IDH1IDH2ALDH1A1GAA
SCHEMBL1645018 0.75 L3MBTL1 (0.43) L3MBTL1IDH1IDH2ALDH1A1GAA
SCHEMBL21438046 0.75 L3MBTL1 (0.43) L3MBTL1IDH1IDH2ALDH1A1GAA
SCHEMBL29931101 0.75 L3MBTL1 (0.43) L3MBTL1IDH1IDH2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160130278-A1 GLYCINE TRANSPORTER INHIBITOR TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-05-12 US disclosed
US-20110166132-A1 Gamma Secretase Modulators AMGEN INC. (US) 2011-07-07 US disclosed
EP-2231602-A1 GAMMA SECRETASE MODULATORS Amgen, Inc (US) 2010-09-29 EP disclosed
WO-2009075874-A1 GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-06-18 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-20110166132-A1 Gamma Secretase Modulators BACE1, BACE2, PSEN1 L3MBTL1 3332/4885IDH1 2230/4885IDH2 2489/4885
US-20160130278-A1 GLYCINE TRANSPORTER INHIBITOR SLC1A2, SLC6A5, SLC18A2 L3MBTL1 2008/4885IDH1 1811/4885IDH2 2055/4885

“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.