SCHEMBL6714832

SCHEMBL6714832

COC(=O)c1ccccc1-c1ccc([N+](=O)[O-])cn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.49
MAPT P10636 4/20 0.48
SLC6A3 Q01959 4/20 0.46
SLC6A4 P31645 3/20 0.46
CYP1A2 P05177 1/20 0.45
GAA P10253 1/20 0.45
BRAF P15056 1/20 0.44
PKM P14618 1/20 0.44
SLC6A2 P23975 1/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ATR Q13535 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL6715190 0.83 KMT2A (0.48) MAPTCYP1A2GAAPKMKMT2A
SCHEMBL9488402 0.82 SLC6A3 (0.63) MAPTSLC6A3SLC6A4GAABRAF
SCHEMBL23062350 0.80 KMT2A (0.46) CYP2C19MAPTCYP1A2GAAPKM
SCHEMBL6716440 0.79 SLC6A3 (0.51) MAPTSLC6A3SLC6A4SLC6A2KMT2A
SCHEMBL29744151 0.79 MAPT (0.48) CYP2C19MAPTPKMKMT2AMEN1
SCHEMBL20298739 0.79 MAPT (0.48) CYP2C19MAPTPKMKMT2AMEN1
SCHEMBL23062370 0.78 CYP2C19 (0.43) CYP2C19MAPTSLC6A3CYP1A2GAA
SCHEMBL6718379 0.78 SLC6A3 (0.51) CYP2C19MAPTSLC6A3SLC6A4CYP1A2
SCHEMBL30695897 0.78 MAPT (0.58) CYP2C19MAPTCYP1A2PKMKMT2A
SCHEMBL14988537 0.78 MAPT (0.58) CYP2C19MAPTCYP1A2PKMKMT2A

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-20040006141-A1 Amidocarboxylic acid compounds SANKYO COMPANY, LTD (JP) 2004-01-08 US disclosed
US-6528525-B1 Amidocarboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-03-04 US disclosed
CN-1280561-A Amidocarboxylic acid derivatives SANKYO CO (JP) 2001-01-17 CN disclosed
EP-1026149-A1 AMIDOCARBOXYLIC ACID DERIVATIVES Sankyo Company Limited (JP) 2000-08-09 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-20040006141-A1 Amidocarboxylic acid compounds NR1H2, AGK, APOL1 CYP2C19 1242/4885MAPT 4838/4885SLC6A3 4141/4885

“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.