SCHEMBL5610239

SCHEMBL5610239

[O]c1c(-c2ccccn2)ccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 5/20 0.46
ALDH1A1 P00352 5/20 0.46
TP53 P04637 5/20 0.46
HPGD P15428 4/20 0.46
RAB9A P51151 4/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP1A2 P05177 2/20 0.46
AHR P35869 1/20 0.46
CYP1A1 P04798 1/20 0.46
CYP1B1 Q16678 1/20 0.46
MAPK1 P28482 2/20 0.45
HSD17B10 Q99714 2/20 0.45
BRD4 O60885 1/20 0.45
LMNA P02545 5/20 0.45
CCR1 P32246 2/20 0.45
CCR5 P51681 2/20 0.45
CCR8 P51685 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
SCHEMBL21274321 0.83 KDM4E (0.50) KDM4ESMN1; SMN2NPC1ALDH1A1TP53
SCHEMBL27532865 0.79 KDM4E (0.46) KDM4ESMN1; SMN2NPC1ALDH1A1TP53
SCHEMBL13319551 0.79 KDM4E (0.46) KDM4ESMN1; SMN2NPC1ALDH1A1TP53
SCHEMBL8897958 0.79 KDM4E (0.50) KDM4ESMN1; SMN2NPC1ALDH1A1TP53
SCHEMBL29177755 0.79 HPRT1 (0.50) KDM4ESMN1; SMN2NPC1ALDH1A1TP53
SCHEMBL9642034 0.79 CYP1A2 (0.47) KDM4ESMN1; SMN2NPC1ALDH1A1TP53
SCHEMBL26259950 0.78 KDM4E (0.65) KDM4ESMN1; SMN2NPC1ALDH1A1TP53
SCHEMBL668407 0.77 KDM4E (0.45) KDM4ESMN1; SMN2NPC1ALDH1A1TP53
SCHEMBL31612679 0.77 KDM4E (0.55) KDM4ESMN1; SMN2NPC1ALDH1A1TP53
SCHEMBL668117 0.77 KDM4E (0.45) KDM4ESMN1; SMN2NPC1ALDH1A1TP53

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 9 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
US-6528525-B1 Amidocarboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-03-04 US 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 (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 KDM4E 4720/4885SMN1; SMN2 4055/4885NPC1 981/4885
US-20040006141-A1 Amidocarboxylic acid compounds NR1H2, AGK, APOL1 KDM4E 4633/4885SMN1; SMN2 4310/4885NPC1 812/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 KDM4E 4720/4885SMN1; SMN2 4055/4885NPC1 981/4885

“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.