Sugi Predict

Sugi Predict / Compounds / SCHEMBL249845

SCHEMBL249845

SCHEMBL249845

[O]CCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.64
▸ TSHR P16473 1/20 0.64
▸ HPGD P15428 1/20 0.58
▸ HTT P42858 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.48
▸ MET P08581 1/20 0.48
▸ SIGMAR1 Q99720 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.46
▸ ACHE P22303 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 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
SCHEMBL3202573 0.89 ALDH1A1 (0.72) ALDH1A1TSHRHPGDHTTHSD17B10
SCHEMBL8867793 0.88 ALDH1A1 (0.60) ALDH1A1TSHRHPGDHTTHSD17B10
SCHEMBL13477030 0.85 ALDH1A1 (0.62) ALDH1A1TSHRHPGDHTTHSD17B10
SCHEMBL1150551 0.84 ALDH1A1 (0.67) ALDH1A1TSHRHPGDHTTHSD17B10
SCHEMBL94768 0.84 TSHR (0.52) ALDH1A1TSHRHPGDHSD17B10MET
SCHEMBL883715 0.83 ALDH1A1 (0.64) ALDH1A1TSHRHPGDHTTHSD17B10
SCHEMBL301933 0.82 ALDH1A1 (0.69) ALDH1A1TSHRHPGDHTTHSD17B10
SCHEMBL1814444 0.81 ALDH1A1 (0.62) ALDH1A1TSHRHPGDHTTHSD17B10
SCHEMBL2880002 0.81 ALDH1A1 (0.62) ALDH1A1TSHRHPGDHTTHSD17B10
SCHEMBL5186181 0.81 ALDH1A1 (0.74) ALDH1A1TSHRHPGDHTTHSD17B10

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1339663-B1 NAPHTHALENE DERIVATIVES NOVARTIS AG (CH) 2012-01-04 — — EP claimed
US-20130123486-A1 Photogenerated reagents GAO XIAOLIAN (US) 2013-05-16 — — US disclosed
EP-1339663-B1 NAPHTHALENE DERIVATIVES NOVARTIS AG (CH) 2012-01-04 — — EP disclosed
US-8076501-B2 Photogenerated reagents LC SCIENCES LC 2011-12-13 — — US disclosed
EP-2338886-A2 Naphthalene derivatives Novartis AG (CH) 2011-06-29 — — EP disclosed
US-20100137600-A1 Photogenerated reagents LC SCIENCES LC 2010-06-03 — — US disclosed
US-7544829-B2 Photogenerated reagents LC SCIENCES LC 2009-06-09 — — US disclosed
US-20080009630-A1 Photogenerated reagents LC SCIENCES LC 2008-01-10 — — US disclosed
US-7235670-B2 Photogenerated reagents Gao, Xiaolian 2007-06-26 — — US disclosed
US-7199139-B2 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2007-04-03 — — 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-1207909-A2 METHOD FOR COUPLING MOLECULES MEDICAL RESEARCH COUNCIL (GB) 2002-05-29 — — EP disclosed
EP-1167357-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 — — EP disclosed
WO-2001015737-A2 METHOD FOR COUPLING MOLECULES MEDICAL RESEARCH COUNCIL (GB) 2001-03-08 — — WO disclosed
US-5686484-A ANTHELMINTICS, ACARICIDES, INSECTICIDES SANKYO CO., LTD. (JP) 1997-11-11 — — US disclosed
US-4698340-A TREATMENT OF CEREBROVASCULAR DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-10-06 — — US disclosed
EP-0169712-A2 New pyrimidine derivatives, processes for preparation thereof and composition containing the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-01-29 — — 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 (5 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-20130123486-A1 Photogenerated reagents PPOX, PGR, GRHPR ALDH1A1 1813/4885TSHR 446/4885HPGD 57/4885
US-20040002512-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 ALDH1A1 28/4885TSHR 1887/4885HPGD 1374/4885
US-20080009630-A1 Photogenerated reagents PPOX, PGR, GRHPR ALDH1A1 1813/4885TSHR 446/4885HPGD 57/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 ALDH1A1 28/4885TSHR 1887/4885HPGD 1374/4885
US-20100137600-A1 Photogenerated reagents PPOX, PGR, GRHPR ALDH1A1 1813/4885TSHR 446/4885HPGD 57/4885

“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.