SCHEMBL4340908

SCHEMBL4340908

COc1ccc(C(=O)CBr)cc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
CYP3A4 P08684 1/20 0.56
TSHR P16473 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
LMNA P02545 2/20 0.55
PRMT5 O14744 1/20 0.55
WDR77 Q9BQA1 1/20 0.55
POLB P06746 2/20 0.54
MAPT P10636 2/20 0.54
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
GSK3B P49841 1/20 0.51

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
SCHEMBL3606708 0.88 GSK3B (0.51) ALDH1A1SMN1; SMN2CYP3A4TSHRTDP1
SCHEMBL20286524 0.87 GSK3B (0.53) ALDH1A1SMN1; SMN2CYP3A4TSHRTDP1
SCHEMBL13785071 0.87 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2CYP3A4TSHRTDP1
SCHEMBL28466010 0.87 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2CYP3A4TSHRTDP1
SCHEMBL10896991 0.86 GSK3B (0.49) ALDH1A1SMN1; SMN2CYP3A4TSHRTDP1
SCHEMBL13785070 0.85 GSK3B (0.49) ALDH1A1SMN1; SMN2CYP3A4TSHRTDP1
SCHEMBL13785008 0.85 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2CYP3A4TSHRTDP1
SCHEMBL4138159 0.85 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2CYP3A4TSHRTDP1
SCHEMBL28515710 0.84 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2CYP3A4TSHRTDP1
SCHEMBL5189041 0.83 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2CYP3A4TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11582970-B2 2-aminoimidazole-phenyl derivatives useful for controlling microbial growth NORTH CAROLINA STATE UNIVERSITY (US) 2023-02-21 US disclosed
US-20220000118-A1 2-AMINOIMIDAZOLE-PHENYL DERIVATIVES USEFUL FOR CONTROLLING MICROBIAL GROWTH NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-01-06 US disclosed
WO-2009094205-A2 3-ARYL-6-ARYL-7H-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2009-07-30 WO disclosed
WO-2009094205-A2 3-ARYL-6-ARYL-7H-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2009-07-30 WO disclosed
EP-1740576-B1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES HOFFMANN LA ROCHE (CH) 2009-07-01 EP disclosed
US-7211576-B2 Diaminothiazoles HOFFMANN-LA ROCHE INC. (US) 2007-05-01 US disclosed
US-7211576-B2 Diaminothiazoles HOFFMANN-LA ROCHE INC. (US) 2007-05-01 US disclosed
US-20070082872-A1 Indole-containing compounds with anti-tubulin and vascular targeting activity BAYLOR UNIVERSITY 2007-04-12 US disclosed
EP-1740576-A1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES F. Hoffman-la Roche AG (CH) 2007-01-10 EP disclosed
WO-2005103034-A1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES F. HOFFMAN-LA ROCHE AG (CH) 2005-11-03 WO disclosed
EP-1507530-B1 DIAMINOTHIAZOLES AND USE THEREOF AS CDK4 INHIBITORS HOFFMANN LA ROCHE (CH) 2005-11-02 EP disclosed
US-20050239843-A1 Diaminothiazoles DING QINGJIE 2005-10-27 US disclosed
EP-1507530-A1 DIAMINOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2005-02-23 EP disclosed
US-6818663-B2 AS INHIBITORS OF CYCLIN-DEPENDENT KINASE 4 (CDK4); ANTIPROLIFERATIVE AGENTS; FOR THERAPY OF CANCER, TUMORS HOFFMANN-LA ROCHES 2004-11-16 US disclosed
US-20040006058-A1 DIAMINOTHIAZOLES CHU XIN-JIE (US) 2004-01-08 US disclosed
WO-2003097048-A1 DIAMINOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-27 WO disclosed
EP-0377112-B1 Quinoxaline compounds and their preparation and use NOVO NORDISK AS (DK) 1994-08-24 EP disclosed
US-5061706-A 2,3-QUINOXALINEDIONES FOR USE AS NEUROLEPTICS NOVO NORDISK A/S (DK) 1991-10-29 US disclosed
EP-0377112-A1 Quinoxaline compounds and their preparation and use NOVO NORDISK A/S (DK) 1990-07-11 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-20050239843-A1 Diaminothiazoles CDK4, CDK2, CDK1 ALDH1A1 762/4885SMN1; SMN2 3600/4885CYP3A4 2229/4885
US-20070082872-A1 Indole-containing compounds with anti-tubulin and vascular targeting activity TUBB3, TUBB1, TUBB ALDH1A1 2935/4885SMN1; SMN2 4424/4885CYP3A4 3840/4885
US-11582970-B2 2-aminoimidazole-phenyl derivatives useful for controlling microbial growth DDC, IL4I1, ING2 ALDH1A1 1809/4885SMN1; SMN2 4611/4885CYP3A4 542/4885
US-20040006058-A1 DIAMINOTHIAZOLES CDK4, CDK1, CDK2 ALDH1A1 1361/4885SMN1; SMN2 3334/4885CYP3A4 667/4885
US-20220000118-A1 2-AMINOIMIDAZOLE-PHENYL DERIVATIVES USEFUL FOR CONTROLLING MICROBIAL GROWTH DDC, IL4I1, ING2 ALDH1A1 1809/4885SMN1; SMN2 4611/4885CYP3A4 542/4885

“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.