SCHEMBL5609447

SCHEMBL5609447

Cc1cc([O])cc(C)c1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
TDP1 Q9NUW8 4/20 0.58
CYP3A4 P08684 4/20 0.58
TSHR P16473 4/20 0.58
TP53 P04637 2/20 0.58
POLB P06746 2/20 0.48
KDM4E B2RXH2 4/20 0.39
MAPK1 P28482 1/20 0.36
NOS3 P29474 3/20 0.36
NOS1 P29475 3/20 0.36
NOS2 P35228 3/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL1866504 0.73 ALDH1A1 (1.00) ALDH1A1TDP1CYP3A4TSHRTP53
SCHEMBL9669 0.73 ALDH1A1 (1.00) ALDH1A1TDP1CYP3A4TSHRTP53
SCHEMBL139002 0.73 ALDH1A1 (0.65) ALDH1A1TDP1CYP3A4TSHRTP53
SCHEMBL33589 0.73 ALDH1A1 (0.65) ALDH1A1TDP1CYP3A4TSHRTP53
SCHEMBL292379 0.73 RAPGEF4 (0.32) MAPK1LMNAGAACYP1A2HTT
Hydrochloric Acid SCHEMBL4598240 0.71 ALDH1A1 (0.93) ALDH1A1TDP1CYP3A4TSHRTP53
Hydrochloric Acid SCHEMBL472235 0.71 ALDH1A1 (0.93) ALDH1A1TDP1CYP3A4TSHRTP53
Ammonia Solution, Strong SCHEMBL16970867 0.71 ALDH1A1 (0.93) ALDH1A1TDP1CYP3A4TSHRTP53
Ammonia Solution, Strong SCHEMBL7696025 0.71 ALDH1A1 (0.93) ALDH1A1TDP1CYP3A4TSHRTP53
SCHEMBL5609757 0.71 ALDH1A1 (0.61) ALDH1A1TDP1CYP3A4TSHRTP53

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 10 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-20040002512-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-01 US disclosed
EP-1354602-A1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT Sankyo Company, Limited (JP) 2003-10-22 EP disclosed
US-6596751-B2 An insulin resistance improving agent, hypoglycemic agent, immunoregulatory agent, aldose reductase inhibitor, 5-lipoxygenase inhibitor, peroxidized lipid production suppressor, PPAR. activator, leukotriene antagonist, adipose SANKYO COMPANY LIMITED (JP) 2003-07-22 US disclosed
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-04-10 US disclosed
EP-1167357-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 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 (4 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-20040002512-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 ALDH1A1 28/4885TDP1 4444/4885CYP3A4 812/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 ALDH1A1 28/4885TDP1 4444/4885CYP3A4 812/4885
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 ALDH1A1 2128/4885TDP1 4798/4885CYP3A4 4276/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 ALDH1A1 2128/4885TDP1 4798/4885CYP3A4 4276/4885

“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.