SCHEMBL2298164

SCHEMBL2298164

O=C(CNCCc1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
TAAR1 Q96RJ0 2/20 0.55
CNR1 P21554 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
PLAAT3 P53816 2/20 0.51
PLAAT5 Q96KN8 2/20 0.51
PLAAT2 Q9NWW9 2/20 0.51
PLAAT4 Q9UL19 2/20 0.51
LMNA P02545 2/20 0.50
NLRP3 Q96P20 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GSK3B P49841 1/20 0.49
PRMT1 Q99873 1/20 0.48
DPP4 P27487 1/20 0.48
ERCC5 P28715 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
SCHEMBL2291802 0.84 NPC1 (0.63) MAPTKMT2ATAAR1NPC1RAB9A
SCHEMBL2293951 0.84 MGLL (0.55) MAPTKMT2ANPC1RAB9APLAAT3
SCHEMBL2290144 0.84 MAPT (0.62) MAPTL3MBTL1MEN1KMT2ANPC1
SCHEMBL748827 0.83 CNR1 (0.58) MAPTL3MBTL1MEN1KMT2ATAAR1
SCHEMBL2295843 0.80 BCHE (0.61) MEN1KMT2AHDAC1HDAC2CYP2D6
SCHEMBL2293824 0.80 SMN1; SMN2 (0.67) MAPTMEN1KMT2ATAAR1NPC1
SCHEMBL23014303 0.79 SLC6A9 (0.62) MAPTL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL9768036 0.79 PTGS2 (0.55) MAPTL3MBTL1MEN1KMT2ATAAR1
SCHEMBL11482367 0.79 NPC1 (0.61) L3MBTL1NPC1RAB9ADPP4SIGMAR1
SCHEMBL3078714 0.78 L3MBTL1 (0.68) MAPTL3MBTL1MEN1KMT2ANPC1

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-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

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 4453/4885MEN1 1671/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 MAPT 1/4885L3MBTL1 4453/4885MEN1 1671/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 MAPT 1/4885L3MBTL1 4453/4885MEN1 1671/4885

“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.