SCHEMBL3246594

SCHEMBL3246594

CCCCCC[N]C(=O)c1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.54
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.41
FAAH O00519 1/20 0.40
HPGD P15428 1/20 0.38
STAT3 P40763 1/20 0.38

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
SCHEMBL8009212 0.83 CES2 (0.53) NAAAALDH1A1
SCHEMBL11133514 0.83 CES2 (0.53) NAAAALDH1A1
SCHEMBL195960 0.83 CES2 (0.53) NAAAALDH1A1
SCHEMBL3244148 0.83 CES2 (0.53) NAAAALDH1A1
SCHEMBL3248586 0.81 LMNA (0.58) LMNASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL10914555 0.81 NAPRT (0.42) NAAALMNASMN1; SMN2HDAC3HDAC1
SCHEMBL3246383 0.81 CES2 (0.51) NAAALMNASMN1; SMN2ALDH1A1
SCHEMBL3251129 0.75 CES2 (0.50) NAAALMNASMN1; SMN2ALDH1A1
SCHEMBL3240994 0.74 L3MBTL1 (0.56) LMNASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL11267484 0.74 HSD17B3 (0.66) NAAALMNASMN1; SMN2NPC1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 US disclosed
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
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
EP-1022272-B1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS SANKYO CO (JP) 2004-05-26 EP 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-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-04-10 US disclosed
US-6432993-B1 BENZIMIDAZOLE OR IMIDAZO(4,5-B)PYRIDINE DERIVATES; IMMUNOMODULATORS; ALDOSE REDUCTASE AND LIPOXYGENASE INHIBITORS; DIABETES; PREVENTS LIPID PEROXIDATION; ANTILIPEMIC, HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 2002-08-13 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
EP-1167357-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 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 (6 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-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SRD5A2, PPARD, SRD5A1 NAAA 4148/4885LMNA 4061/4885SMN1; SMN2 2291/4885
US-20040002512-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 NAAA 783/4885LMNA 3499/4885SMN1; SMN2 2259/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 NAAA 783/4885LMNA 3499/4885SMN1; SMN2 2259/4885
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 NAAA 2940/4885LMNA 1516/4885SMN1; SMN2 4055/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 NAAA 2940/4885LMNA 1516/4885SMN1; SMN2 4055/4885
US-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 NAAA 515/4885LMNA 1519/4885SMN1; SMN2 3933/4885

“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.