SCHEMBL2290144

SCHEMBL2290144

O=C(CNCc1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
ALDH1A1 P00352 2/20 0.60
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ERCC5 P28715 1/20 0.50
FEN1 P39748 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
AGTR1 P30556 1/20 0.49
LMNA P02545 1/20 0.48
HSD11B1 P28845 1/20 0.47
GSK3B P49841 2/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRB2 P47870 1/20 0.47
PLAAT3 P53816 1/20 0.47

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
SCHEMBL10490526 0.88 ALDH1A1 (0.56) MAPTALDH1A1KMT2AMEN1HDAC8
Hydrochloric Acid SCHEMBL10339600 0.86 ALDH1A1 (0.54) MAPTALDH1A1KMT2AMEN1HDAC8
SCHEMBL2298164 0.84 MAPT (0.58) MAPTL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL13563342 0.84 MAPT (0.63) MAPTL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL2294730 0.83 ALDH1A1 (0.56) MAPTL3MBTL1ALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL6461920 0.83 DPP4 (0.51) ALDH1A1HDAC8HDAC6LMNACES2
SCHEMBL2293488 0.83 MAPT (0.55) MAPTL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL11838056 0.83 HDAC8 (0.50) MAPTALDH1A1KMT2AMEN1HDAC8
Hydrochloric Acid SCHEMBL3999228 0.82 ALDH1A1 (0.55) MAPTL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL2295624 0.80 NPC1 (0.56) MAPTALDH1A1KMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-18 US claimed
US-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-20 US disclosed
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-13 US disclosed
US-7994315-B2 Intermediate compound for synthesizing pharmaceutical agent and production method thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
EP-2221305-A1 Method for synthesizing intermediate compound for synthesizing a pharmaceutical agent Mitsubishi Tanabe Pharma Corporation (JP) 2010-08-25 EP disclosed
EP-2221304-A1 Method for synthesizing intermediate compound for synthesizing a pharmaceutical agent Mitsubishi Tanabe Pharma Corporation (JP) 2010-08-25 EP disclosed
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-18 US disclosed
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP disclosed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 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 (3 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-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 MAPT 1/4885L3MBTL1 4453/4885ALDH1A1 1251/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 MAPT 1/4885L3MBTL1 4453/4885ALDH1A1 1251/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 MAPT 1/4885L3MBTL1 4453/4885ALDH1A1 1251/4885

“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.