SCHEMBL5609868

SCHEMBL5609868

Cc1ccc(C([N])=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
CES2 O00748 3/20 0.62
CES1 P23141 3/20 0.62
LMNA P02545 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.59
HTT P42858 4/20 0.54
NPSR1 Q6W5P4 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
KMT2A Q03164 3/20 0.54
PKM P14618 2/20 0.54
ATM Q13315 2/20 0.54
HPGD P15428 2/20 0.54
MEN1 O00255 2/20 0.54
NLRP1 Q9C000 1/20 0.54
GAA P10253 1/20 0.54
NTSR1 P30989 1/20 0.54
SRD5A2 P31213 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
GSK3B P49841 1/20 0.50

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
4-Methylbenzoic Acid SCHEMBL28109161 0.78 ALDH1A1 (0.94) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL4187677 0.78 ALDH1A1 (0.62) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL167254 0.77 CES2 (1.00) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL52200 0.77 ALDH1A1 (1.00) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL822185 0.77 ALDH1A1 (1.00) ALDH1A1CES2CES1LMNASMN1; SMN2
Terephthalic Acid SCHEMBL526449 0.74 ALDH1A1 (1.00) ALDH1A1CES2CES1LMNASMN1; SMN2
4-Methylbenzoic Acid SCHEMBL93638 0.74 ALDH1A1 (1.00) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL55409 0.74 SMN1; SMN2 (0.74) ALDH1A1CES2CES1LMNASMN1; SMN2
4-Methylbenzoic Acid SCHEMBL1331178 0.74 ALDH1A1 (1.00) ALDH1A1CES2CES1LMNASMN1; SMN2
SCHEMBL721041 0.74 SMN1; SMN2 (0.74) ALDH1A1CES2CES1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199139-B2 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
EP-1354602-B1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT SANKYO CO (JP) 2006-10-04 EP disclosed
EP-1695716-A2 Medicinal compositions containing diuretics and insulin sensitizers Sankyo Company, Limited (JP) 2006-08-30 EP disclosed
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2005-12-29 US disclosed
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
US-20040006141-A1 Amidocarboxylic acid compounds SANKYO COMPANY, LTD (JP) 2004-01-08 US disclosed
EP-1354602-A1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT Sankyo Company, Limited (JP) 2003-10-22 EP disclosed
EP-0916651-B1 PHENYLALKYLCARBOXYLIC ACID DERIVATIVES SANKYO CO (JP) 2003-10-15 EP disclosed
US-6528525-B1 Amidocarboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-03-04 US disclosed
US-6103907-A ALDOSE REDUCTASE INHIBITING ANTIDIABETIC AGENT SANKYO COMPANY, LIMITED (JP) 2000-08-15 US disclosed
EP-1026149-A1 AMIDOCARBOXYLIC ACID DERIVATIVES Sankyo Company Limited (JP) 2000-08-09 EP disclosed
US-5972959-A Oxime derivatives, their preparation and their therapeutic use SANKYO COMPANY, LIMITED (JP) 1999-10-26 US disclosed
EP-0916651-A1 PHENYLALKYLCARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 1999-05-19 EP disclosed
EP-0708098-B1 Oxime derivatives, their preparation and their therapeutic use SANKYO CO (JP) 1999-03-03 EP disclosed
US-5703096-A ANTIDIABETIC AGENTS; ALDOSE REDUCTASE INHIBITOR SANKYO COMPANY, LIMITED (JP) 1997-12-30 US disclosed
EP-0708098-A1 Oxime derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1996-04-24 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 (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-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 ALDH1A1 2128/4885CES2 1135/4885CES1 456/4885
US-20040006141-A1 Amidocarboxylic acid compounds NR1H2, AGK, APOL1 ALDH1A1 3508/4885CES2 2438/4885CES1 313/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 ALDH1A1 2128/4885CES2 1135/4885CES1 456/4885

“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.