SCHEMBL5608949

SCHEMBL5608949

COc1ccc(-c2ccc(C(C)=NO)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
ALDH1A1 P00352 1/20 0.59
ESR2 Q92731 1/20 0.52
SLC2A1 P11166 1/20 0.50
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
MAPT P10636 2/20 0.46
PKM P14618 1/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
CA1 P00915 2/20 0.45

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
SCHEMBL30322657 0.94 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1KDM4ECES2CES1
SCHEMBL5666851 0.94 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1KDM4ECES2CES1
SCHEMBL13645704 0.85 CA9 (0.47) SMN1; SMN2ALDH1A1ESR2KDM4ENPC1
Anisole SCHEMBL28289531 0.80 CA4 (0.56) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL31692784 0.79 FURIN (0.59) SMN1; SMN2ALDH1A1NPC1RAB9ACES2
SCHEMBL6377926 0.78 MMP2 (0.45) NPC1RAB9AMAPT
SCHEMBL12360950 0.78 CA9 (0.52) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL14298196 0.78 CA9 (0.52) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL20677082 0.77 KDM4E (0.58) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL19402034 0.77 KDM4E (0.58) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A

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 6 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
EP-1354602-A1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT Sankyo Company, Limited (JP) 2003-10-22 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 (2 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 SMN1; SMN2 4055/4885ALDH1A1 2128/4885ESR2 882/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 SMN1; SMN2 4055/4885ALDH1A1 2128/4885ESR2 882/4885

“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.