Sugi Predict

Sugi Predict / Compounds / SCHEMBL453183

SCHEMBL453183

SCHEMBL453183

O=C(O)c1ccccc1Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 5/20 0.68
▸ AKR1C2 P52895 5/20 0.68
▸ AKR1B1 P15121 3/20 0.67
▸ AKR1C1 Q04828 3/20 0.67
▸ AKR1C4 P17516 2/20 0.67
▸ AKR1B10 O60218 2/20 0.67
▸ MEN1 O00255 6/20 0.64
▸ KMT2A Q03164 6/20 0.64
▸ KDM4E B2RXH2 4/20 0.64
▸ ALDH1A1 P00352 4/20 0.64
▸ MAPT P10636 3/20 0.64
▸ GAA P10253 2/20 0.64
▸ MYC P01106 1/20 0.63
▸ TDP1 Q9NUW8 3/20 0.62
▸ MAPK1 P28482 2/20 0.62
▸ CASP7 P55210 1/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ ASPH Q12797 1/20 0.60
▸ KDM8 Q8N371 1/20 0.60
▸ FABP4 P15090 2/20 0.57

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
SCHEMBL11756674 0.88 ALDH1A1 (0.59) AKR1C3AKR1C2AKR1B1AKR1C1AKR1C4
SCHEMBL10361782 0.88 FABP4 (0.60) AKR1C3AKR1C2AKR1B1AKR1C1AKR1C4
SCHEMBL13444610 0.88 KDM4E (0.66) AKR1C3AKR1C2AKR1B1AKR1C1AKR1C4
SCHEMBL6142312 0.86 PBRM1 (0.58) AKR1C3AKR1C2AKR1B1AKR1C1AKR1C4
SCHEMBL22720165 0.86 KDM4E (0.60) AKR1C3AKR1C2AKR1B1AKR1C1AKR1C4
SCHEMBL27527050 0.86 AKR1C3 (0.60) AKR1C3AKR1C2AKR1B1AKR1C1AKR1C4
SCHEMBL11787404 0.85 MEN1 (0.57) AKR1C3AKR1C2AKR1B1AKR1C1AKR1C4
SCHEMBL11762832 0.85 AKR1C3 (0.56) AKR1C3AKR1C2AKR1B1AKR1C1AKR1C4
SCHEMBL18667006 0.85 HCAR3 (0.72) AKR1C3AKR1C2AKR1B1AKR1C1AKR1C4
SCHEMBL1688337 0.85 AKR1C3 (0.69) AKR1C3AKR1C2AKR1B1AKR1C1AKR1C4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131527-A1 NOVEL ANTHRANILIC ACID DERIVATIVES AND CHLORIDE CHANNEL BLOCKING AGENT CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-05-21 — — US claimed
EP-1861111-A2 METHODS AND COMPOSITIONS FOR INCREASING THE SAFETY AND EFFICACY OF ALBUMIN-BINDING DRUGS New Century Pharmaceuticals (US) 2007-12-05 — — EP claimed
WO-2007049050-A2 MODULATORS OF GPR40 FOR THE TREATMENT OF DIABETES HEPTAHELIX AB (SE) 2007-05-03 — — WO claimed
US-20060234960-A1 Methods and compositions for increasing the safety and efficacy of albumin-binding drugs NEW CENTURY PHARMACEUTICALS, INC. 2006-10-19 — — US claimed
WO-2006093994-A2 METHODS AND COMPOSITIONS FOR INCREASING THE SAFETY AND EFFICACY OF ALBUMIN-BINDING DRUGS NEW CENTURY PHARMACEUTICALS (US) 2006-09-08 — — WO claimed
US-9150556-B2 Benzimidazolone chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 — — US disclosed
US-9150556-B2 Benzimidazolone chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 — — US disclosed
US-8802634-B2 CD40-L Inhibitory Peptides PHYLOGICA LIMITED (AU) 2014-08-12 — — US disclosed
US-20130266605-A1 PEPTIDE INHIBITORS OF CD40L SIGNALING AND USES THEREFOR PHYLOGICA LIMITED (AU) 2013-10-10 — — US disclosed
EP-2616480-A1 PEPTIDE INHIBITORS OF CD40L SIGNALING AND USES THEREFOR Phylogica Limited (AU) 2013-07-24 — — EP disclosed
US-20130022590-A1 Compositions Comprising Zinc Finger Domains and Uses Therefor THE UNIVERSITY OF SYDNEY (AU) 2013-01-24 — — US disclosed
US-20120135864-A1 POLLINATION IMPROVER TAMINCO, NAAMLOZE VENNOOTSCHAP (BE) 2012-05-31 — — US disclosed
US-5736538-A TREATS IN MAMMAL THE DISEASE CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER, IS CONGESTIVE HEART FAILURE, NEPHROTIC SYNDROME, HYPONATREMIA, CORONARY AND RENAL VASOSPASM, CARDIAC ISCHEMIA, LIVER CIRRHOSIS AND BRAIN EDEMA AMERICAN CYANAMID COMPANY (US) 1998-04-07 — — US disclosed
WO-1997047625-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1997-12-18 — — WO disclosed
WO-1997047624-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1997-12-18 — — WO disclosed
US-5693635-A TREATMENT OF DISEASES CHARACTERIZED BY EXCESS RENAL ABSORPTION OF WATER; CONGESTIVE HEART FAILURE, NEPHROTIC SYNDROME AMERICAN CYANAMID COMPANY (US) 1997-12-02 — — US disclosed
US-5686445-A Pyridobenzoxazepine and pyridobenzothiazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1997-11-11 — — US disclosed
WO-1996022282-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 — — WO disclosed
US-5512563-A TREATING DISEASES CAUSED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1996-04-30 — — US disclosed
EP-0640592-A1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1995-03-01 — — 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 (2 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-20090131527-A1 NOVEL ANTHRANILIC ACID DERIVATIVES AND CHLORIDE CHANNEL BLOCKING AGENT CONTAINING THE SAME CLIC1, ASIC1, CLIC4 AKR1C3 787/4885AKR1C2 477/4885AKR1B1 561/4885
US-20120135864-A1 POLLINATION IMPROVER AADAT, TIPARP, GSR AKR1C3 62/4885AKR1C2 159/4885AKR1B1 109/4885

“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.