Sugi Predict

Sugi Predict / Compounds / SCHEMBL2385989

SCHEMBL2385989

SCHEMBL2385989

N#CCc1ccc([N+](=O)[O-])cc1Br

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ HPGD P15428 1/20 0.47
▸ VCAM1 P19320 2/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ TDP1 Q9NUW8 3/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ GAA P10253 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ PTPRC P08575 3/20 0.37
▸ S100A4 P26447 2/20 0.37
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ PDE7A Q13946 1/20 0.36

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
SCHEMBL30468489 1.00 ALDH1A1 (0.47) ALDH1A1HPGDVCAM1CYP1A2POLB
SCHEMBL30648694 0.87 ALDH1A1 (0.47) ALDH1A1HPGDVCAM1CYP1A2POLB
SCHEMBL1817832 0.87 ALDH1A1 (0.47) ALDH1A1HPGDVCAM1CYP1A2POLB
SCHEMBL10712226 0.81 ALDH1A1 (0.62) ALDH1A1HPGDVCAM1CYP1A2TDP1
SCHEMBL30279931 0.80 ALDH1A1 (0.55) ALDH1A1HPGDVCAM1CYP1A2TDP1
SCHEMBL7880816 0.80 ALDH1A1 (0.47) ALDH1A1HPGDVCAM1CYP1A2POLB
SCHEMBL29780594 0.80 ALDH1A1 (0.47) ALDH1A1HPGDVCAM1CYP1A2TDP1
SCHEMBL2817314 0.80 ALDH1A1 (0.55) ALDH1A1HPGDVCAM1CYP1A2TDP1
SCHEMBL30127086 0.80 HSD17B10 (0.55) ALDH1A1HPGDVCAM1CYP1A2TDP1
SCHEMBL2815195 0.80 ALDH1A1 (0.47) ALDH1A1HPGDVCAM1CYP1A2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116332910-A 2-aminopyrimidine derivatives as kinase inhibitors, preparation and use thereof 江苏威凯尔医药科技有限公司 2023-06-27 — — CN disclosed
US-20110237639-A1 IMIDAZOLINYLMETHYL ARYL SULFONAMIDE ROCHE PALO ALTO LLC. 2011-09-29 — — US disclosed
US-20110237639-A1 IMIDAZOLINYLMETHYL ARYL SULFONAMIDE ROCHE PALO ALTO LLC. 2011-09-29 — — US disclosed
CN-101925582-A N- [ 3-bromo-2-chloro-4- (4, 5-dihydro-1H-imidazol-2-ylmethyl) -phenyl ] -methanesulfonamide as alpha-1A adrenergic partial agonist for the treatment of incontinence HOFFMANN LA ROCHE 2010-12-22 — — CN disclosed
EP-2238113-A1 N-[3-BROMO-2-CHLORO-4-(4, 5-DIHYDRO-1H-IMIDAZOL-2-YLMETHYL)-PHENYL] -METHANESULFOAMIDE AS ALPHA-1 A ADRENERGIC PARTIAL AGONIST FOR THE TREATMENT OF INCONTINENCE F. Hoffmann-La Roche AG (CH) 2010-10-13 — — EP disclosed
US-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2010-09-30 — — US disclosed
CN-101679215-A New benzamide derivatives as the follicle stimulating hormone conditioning agent ADDEX PHARMA SA 2010-03-24 — — CN disclosed
EP-2134676-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE Addex Pharma SA (CH) 2009-12-23 — — EP disclosed
WO-2009098134-A1 N-[3-BROMO-2-CHLORO-4-(4, 5-DIHYDRO-1H-IMIDAZOL-2-YLMETHYL)-PHENYL] -METHANESULFOAMIDE AS ALPHA-1 A ADRENERGIC PARTIAL AGONIST FOR THE TREATMENT OF INCONTINENCE F. HOFFMANN-LA ROCHE AG (CH) 2009-08-13 — — WO disclosed
WO-2009098134-A1 N-[3-BROMO-2-CHLORO-4-(4, 5-DIHYDRO-1H-IMIDAZOL-2-YLMETHYL)-PHENYL] -METHANESULFOAMIDE AS ALPHA-1 A ADRENERGIC PARTIAL AGONIST FOR THE TREATMENT OF INCONTINENCE F. HOFFMANN-LA ROCHE AG (CH) 2009-08-13 — — WO disclosed
US-20090197932-A1 IMIDAZOLINYLMETHYL ARYL SULFONAMIDE ROCHE PALO ALTO LLC 2009-08-06 — — US disclosed
US-20090197932-A1 IMIDAZOLINYLMETHYL ARYL SULFONAMIDE ROCHE PALO ALTO LLC 2009-08-06 — — US disclosed
WO-2008117175-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2008-10-02 — — WO disclosed
EP-1448536-A1 CYCLOPROPYL-CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2004-08-25 — — EP disclosed
US-6686363-B2 EFFECTIVE AGAINST MULTI-RESISTANT BACTERIA KYORIN PHARMACEUTICAL CO., LTD. (JP) 2004-02-03 — — US disclosed
US-20030225107-A1 CYCLOPROPYL CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK SHARP & DOHME CORP. 2003-12-04 — — US disclosed
WO-2003048136-A1 CYCLOPROPYL HEXANE CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2003-06-12 — — WO 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 (4 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-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE FSHR, GNRHR, SHBG ALDH1A1 1769/4885HPGD 2027/4885VCAM1 2995/4885
US-20110237639-A1 IMIDAZOLINYLMETHYL ARYL SULFONAMIDE ADRA1A, ADRA1D, ADRB1 ALDH1A1 243/4885HPGD 1563/4885VCAM1 1957/4885
US-20090197932-A1 IMIDAZOLINYLMETHYL ARYL SULFONAMIDE ADRA1A, ADRA2A, ADRA1D ALDH1A1 136/4885HPGD 1598/4885VCAM1 2371/4885
US-20030225107-A1 CYCLOPROPYL CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF ALAD, OXA1L, ECI1 ALDH1A1 824/4885HPGD 1549/4885VCAM1 3606/4885

“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.