SCHEMBL3899164

SCHEMBL3899164

O=Cc1c([N+](=O)[O-])ccc(OCc2ccccc2)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 1/20 0.47
CTSV O60911 3/20 0.46
CTSL P07711 3/20 0.46
BACE1 P56817 1/20 0.46
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
AR P10275 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43

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
SCHEMBL3904800 0.85 NPC1 (0.50) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL27739041 0.82 CTSV (0.49) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL3898843 0.82 HTR1A (0.52) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL13322858 0.81 MEN1 (0.50) MAPTPOLBBACE1LMNAHTT
SCHEMBL3903540 0.81 PTPN1 (0.46) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL9315238 0.81 MAPT (0.43) MAPTNPC1SMN1; SMN2L3MBTL1LMNA
SCHEMBL4883017 0.80 HTR1A (0.55) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL5594949 0.79 HTR1A (0.53) MAPTNPC1RAB9AL3MBTL1POLB
SCHEMBL9315374 0.79 ALDH1A1 (0.44) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL29014226 0.78 XDH (0.51) MAPTL3MBTL1POLBCTSVCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP 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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 MAPT 4806/4885NPC1 639/4885RAB9A 1839/4885

“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.