SCHEMBL559763

SCHEMBL559763

CCc1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.51
S100A4 P26447 1/20 0.50
TRPV1 Q8NER1 1/20 0.50
CYP1A2 P05177 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
SNCA P37840 1/20 0.40
MAPK1 P28482 2/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
ACHE P22303 1/20 0.40
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
ERN1 O75460 1/20 0.39
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
FBP1 P09467 1/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL4435695 0.89 S100A4 (0.44) PDK1S100A4TRPV1CYP1A2KDM4E
SCHEMBL2953964 0.85 ACHE (0.43) PDK1S100A4TRPV1CYP1A2KDM4E
SCHEMBL29561732 0.85 S100A4 (0.46) PDK1S100A4TRPV1CYP1A2KDM4E
SCHEMBL1199050 0.85 S100A4 (0.46) PDK1S100A4TRPV1CYP1A2KDM4E
SCHEMBL14756219 0.83 TSHR (0.56) PDK1S100A4TRPV1CYP1A2KDM4E
SCHEMBL961045 0.83 S100A4 (0.45) PDK1S100A4TRPV1CYP1A2KDM4E
SCHEMBL29291499 0.83 S100A4 (0.45) PDK1S100A4TRPV1CYP1A2KDM4E
SCHEMBL31272132 0.83 S100A4 (0.45) PDK1S100A4TRPV1CYP1A2KDM4E
SCHEMBL3526369 0.83 S100A4 (0.45) PDK1S100A4TRPV1CYP1A2KDM4E
SCHEMBL27875769 0.83 S100A4 (0.45) PDK1S100A4TRPV1CYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112538073-A Preparation method of pazopanib intermediate 上海天慈中商药业有限公司 2021-03-23 CN disclosed
US-9832880-B2 Electronic apparatus and method for manufacturing the same Innolux Corporation (TW) 2017-11-28 US disclosed
EP-2155645-B1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA LTD (GB) 2017-06-14 EP disclosed
EP-2155645-B1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA LTD (GB) 2017-06-14 EP disclosed
EP-2173755-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2017-05-17 EP disclosed
EP-2173755-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2017-05-17 EP disclosed
CN-104169277-B Aurora kinase and flt3 kinase modulators 赛勒姆公司 2016-10-12 CN disclosed
US-20160145248-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD. (CA) 2016-05-26 US disclosed
EP-2812328-B1 AURORA AND FLT3 KINASES MODULATORS SAREUM LTD (GB) 2015-11-18 EP disclosed
US-9133180-B2 Aurora and FLT3 kinases modulators SAREUM LIMITED (GB) 2015-09-15 US disclosed
EP-2102181-A1 4-PHENYL-PYRANE-3,5-DIONES, 4-PHENYL-THIOPYRANE-3,5-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES Syngeta Participations AG (CH) 2009-09-23 EP disclosed
WO-2009019015-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2009-02-12 WO disclosed
WO-2009019015-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2009-02-12 WO disclosed
WO-2008145336-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA LIMITED (GB) 2008-12-04 WO disclosed
WO-2008145336-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA LIMITED (GB) 2008-12-04 WO disclosed
WO-2008110307-A1 2-ARYL-5-HETEROCYCLYL-CYCLOHEXANE-1,3-DIONE COMPOUNDS AND THEIR USE AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-09-18 WO disclosed
WO-2008110308-A2 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-09-18 WO disclosed
WO-2008071405-A1 4-PHENYL-PYRANE-3,5-DIONES, 4-PHENYL-THIOPYRANE-3,5-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-06-19 WO disclosed
WO-2008071405-A1 4-PHENYL-PYRANE-3,5-DIONES, 4-PHENYL-THIOPYRANE-3,5-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-06-19 WO disclosed
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2008-06-05 US 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-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD PDK1 830/4885S100A4 908/4885TRPV1 2551/4885
US-20160145248-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 PDK1 3297/4885S100A4 2287/4885TRPV1 4014/4885

“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.