Sugi Predict

Sugi Predict / Compounds / SCHEMBL7142928

SCHEMBL7142928

SCHEMBL7142928

CN(C)c1ccc(C=O)cc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH3A1 P30838 2/20 0.69
▸ ALDH1A1 P00352 11/20 0.59
▸ MAPT P10636 10/20 0.59
▸ MAPK1 P28482 3/20 0.59
▸ ALDH5A1 P51649 1/20 0.57
▸ ABAT P80404 1/20 0.57
▸ VCAM1 P19320 1/20 0.57
▸ KDM4E B2RXH2 4/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ LMNA P02545 3/20 0.57
▸ HPGD P15428 2/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ TDP1 Q9NUW8 2/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ HTT P42858 1/20 0.55
▸ HCAR3 P49019 1/20 0.55

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
SCHEMBL29403345 1.00 ALDH3A1 (0.69) ALDH3A1ALDH1A1MAPTMAPK1ALDH5A1
SCHEMBL18110635 0.84 ALDH3A1 (0.62) ALDH3A1ALDH1A1MAPTMAPK1ALDH5A1
SCHEMBL9380346 0.83 ALDH3A1 (0.61) ALDH3A1ALDH1A1MAPTMAPK1ALDH5A1
SCHEMBL8297702 0.82 MAPT (0.60) ALDH3A1ALDH1A1MAPTMAPK1KDM4E
SCHEMBL1405552 0.81 MAPT (0.70) ALDH3A1ALDH1A1MAPTMAPK1KDM4E
SCHEMBL1405551 0.81 MAPT (0.70) ALDH3A1ALDH1A1MAPTMAPK1KDM4E
SCHEMBL16096152 0.79 ALDH3A1 (0.72) ALDH3A1ALDH1A1MAPTMAPK1ALDH5A1
SCHEMBL6496803 0.79 MAPT (0.74) ALDH3A1ALDH1A1MAPTMAPK1KDM4E
SCHEMBL6496805 0.79 MAPT (0.74) ALDH3A1ALDH1A1MAPTMAPK1KDM4E
SCHEMBL2561640 0.78 ALDH3A1 (0.59) ALDH3A1ALDH1A1MAPTMAPK1ALDH5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107325012-A Nitrogen dioxide nitrifies the method that 4 (dimethylamino) benzaldehydes prepare 3 nitro 4 (dimethylamino) benzaldehydes 连云港市工业投资集团有限公司 2017-11-07 — — CN claimed
CN-110015962-B Stilbene analogs and methods of treating cancer 肯塔基大学研究基金会 2022-03-15 — — CN disclosed
EP-2906216-B1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS KUMAR AJAY (GB) 2020-06-24 — — EP disclosed
CN-107325012-A Nitrogen dioxide nitrifies the method that 4 (dimethylamino) benzaldehydes prepare 3 nitro 4 (dimethylamino) benzaldehydes 连云港市工业投资集团有限公司 2017-11-07 — — CN disclosed
US-9643979-B2 Inhibitors of DNA gyrase for the treatment of bacterial infections VITAS PHARMA RESEARCH PRIVATE LIMITED (IN) 2017-05-09 — — US disclosed
EP-2673250-B1 STILBENE ANALOGS AND METHODS OF TREATING CANCER UNIV KENTUCKY RES FOUND (US) 2016-11-23 — — EP disclosed
CN-105622431-A Stilbene analogs and methods of treating cancer UNIV KENTUCKY 2016-06-01 — — CN disclosed
US-20150284408-A1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS KUMAR, AJAY, DR. (GB) 2015-10-08 — — US disclosed
US-9132102-B2 Stilbene analogs and methods of treating cancer UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2015-09-15 — — US disclosed
EP-2906216-A2 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS Vitas Pharma Research Private Limited (IN) 2015-08-19 — — EP disclosed
WO-2014057415-A2 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS VITAS PHARMA RESEARCH PVT LTD (IN) 2014-04-17 — — WO disclosed
US-8664276-B2 Stilbene analogs and methods of treating cancer UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2014-03-04 — — US disclosed
EP-2673250-A2 STILBENE ANALOGS AND METHODS OF TREATING CANCER University of Kentucky Research Foundation (US) 2013-12-18 — — EP disclosed
US-20120196874-A1 STILBENE ANALOGS AND METHODS OF TREATING CANCER UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2012-08-02 — — US disclosed
WO-2012103457-A2 STILBENE ANALOGS AND METHODS OF TREATING CANCER UNIVERSITY OF KENTUCKY (US) 2012-08-02 — — WO disclosed
CN-1115330-C N- (4-amidinophenyl) glycinamide derivatives HOFFMANN LA ROCHE (CH) 2003-07-23 — — CN disclosed
EP-0921116-B1 N-(4-carbamimido-phenyl)-glycine amide derivatives HOFFMANN LA ROCHE (CH) 2003-06-18 — — EP disclosed
US-6140353-A USED AS MEDICAMENTS FOR THE TREATMENT AND/OR PREVENTION OF THROMBOSES, APOPLEXY, CARDIAC INFARCTION, INFLAMMATION AND ARTERIOSCLEROSIS OR AS ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-10-31 — — US disclosed
CN-1224714-A N- (4-amidinophenyl) glycinamide derivatives HOFFMANN LA ROCHE (CH) 1999-08-04 — — CN disclosed
EP-0921116-A1 N-(4-carbamimido-phenyl)-glycine amide derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-06-09 — — 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-20120196874-A1 STILBENE ANALOGS AND METHODS OF TREATING CANCER BRCA1, APC, MSH2 ALDH3A1 448/4885ALDH1A1 510/4885MAPT 4183/4885
US-20150284408-A1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS TOP1, TOP2A, DNASE1 ALDH3A1 3273/4885ALDH1A1 3693/4885MAPT 3965/4885

“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.