SCHEMBL3243692

SCHEMBL3243692

Cc1cc(Oc2ccc([N+](=O)[O-])c(N(C)C(=O)OC(C)(C)C)c2)cc(C)c1NC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
LCK P06239 6/20 0.34
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL6544355 0.92 ALDH1A1 (0.34) ALDH1A1LMNALCKMAPTNPC1
SCHEMBL6544361 0.92 ALDH1A1 (0.34) ALDH1A1LMNALCKMAPTNPC1
SCHEMBL3244124 0.87 MEN1 (0.42) LMNAMAPTNPC1RAB9A
SCHEMBL27939756 0.87 KMT2A (0.39) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL3241737 0.86 MEN1 (0.38) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL6543834 0.85 NR1H4 (0.35) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL3245632 0.84 MEN1 (0.42) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL27782510 0.84 RAB9A (0.33) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL3245548 0.84 LCK (0.35) LCK
SCHEMBL3487495 0.83 ALDH1A1 (0.41) ALDH1A1LMNAMAPTNPC1RAB9A

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-20130183297-A1 METHOD OF TREATING CANCERS AND A PHARMACEUTICAL COMPOSITION THAT MAY BE USED IN PRACTICING SAID METHOD DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-18 US disclosed
US-20120263716-A1 METHOD OF TREATING CANCERS AND A PHARMACEUTICAL COMPOSITION THAT MAY BE USED IN PRACTICING SAID METHOD DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-10-18 US disclosed
US-20120258991-A1 METHOD OF TREATING A CANCER BY ADMINISTERING A SPECIFIED DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-10-11 US disclosed
US-8263631-B2 Anti-cancer pharmaceutical compositions and methods for treating patients with cancer DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-09-11 US disclosed
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-20090028868-A1 Anti-cancer pharmaceutical compositions and methods for treating patients with cancer DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-01-29 US disclosed
EP-1982718-A1 ANTI-CANCER PHARMACEUTICAL COMPOSITION Daiichi Sankyo Company, Limited (JP) 2008-10-22 EP disclosed
CN-1162427-C Amine derivatives compounds ������������ʽ���� 2004-08-18 CN disclosed
US-20040002512-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-01 US 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
CN-1354750-A Amine derivatives compounds SANKYO CO (JP) 2002-06-19 CN 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 28/4885LMNA 3499/4885LCK 4392/4885
US-20120258991-A1 METHOD OF TREATING A CANCER BY ADMINISTERING A SPECIFIED DRUG RNASE1, MCL1, EWSR1 ALDH1A1 131/4885LMNA 1051/4885LCK 1941/4885
US-20120263716-A1 METHOD OF TREATING CANCERS AND A PHARMACEUTICAL COMPOSITION THAT MAY BE USED IN PRACTICING SAID METHOD EGFR, ABL1, ERBB2 ALDH1A1 709/4885LMNA 3089/4885LCK 23/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 ALDH1A1 28/4885LMNA 3499/4885LCK 4392/4885
US-20090028868-A1 Anti-cancer pharmaceutical compositions and methods for treating patients with cancer EGFR, ERBB2, KDR ALDH1A1 2596/4885LMNA 2888/4885LCK 125/4885
US-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 ALDH1A1 874/4885LMNA 1519/4885LCK 1329/4885
US-20130183297-A1 METHOD OF TREATING CANCERS AND A PHARMACEUTICAL COMPOSITION THAT MAY BE USED IN PRACTICING SAID METHOD EGFR, ABL1, ERBB2 ALDH1A1 709/4885LMNA 3089/4885LCK 23/4885

“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.