SCHEMBL2592084

SCHEMBL2592084

Cc1nn(C(C)C)c2cc(Br)cc(C(=O)O)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
PPARA Q07869 5/20 0.40
HTT P42858 1/20 0.36
MYC P01106 1/20 0.36
NR4A1 P22736 1/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
NR3C1 P04150 1/20 0.35
KMT2A Q03164 2/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 1/20 0.35
MEN1 O00255 1/20 0.35
PPARG P37231 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL2591434 0.85 TDP1 (0.42) KDM4EALDH1A1TP53NR3C1KMT2A
SCHEMBL12498592 0.79 KDM4E (0.42) KDM4EPPARAHTTHSD17B10ALDH1A1
SCHEMBL26259137 0.75 PPARA (0.48) KDM4EPPARAHSD17B10ALDH1A1TP53
SCHEMBL2588507 0.75 MTOR (0.38) KDM4EKMT2A
SCHEMBL2594202 0.74 KDM4E (0.41) KDM4EHTTAKR1C3AKR1C2HSD17B10
SCHEMBL1694840 0.73 NR3C1 (0.41) KDM4EPPARAHSD17B10ALDH1A1NR3C1
SCHEMBL2588942 0.72 KDM4E (0.53) KDM4EMYCNR4A1AKR1C4AKR1C3
SCHEMBL2594981 0.72 MYC (0.37) KDM4EPPARAHTTMYCNR4A1
SCHEMBL31474839 0.72 KDM4E (0.53) KDM4EMYCNR4A1AKR1C4AKR1C3
SCHEMBL12180762 0.72 KDM4E (0.33) KDM4EPPARAHSD17B10ALDH1A1KMT2A

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-9018382-B2 Indazoles GLAXOSMITHKLINE LLC (US) 2015-04-28 US disclosed
US-9018382-B2 Indazoles GLAXOSMITHKLINE LLC (US) 2015-04-28 US disclosed
US-9018382-B2 Indazoles GLAXOSMITHKLINE LLC (US) 2015-04-28 US disclosed
EP-2566328-B1 INDAZOLES GLAXOSMITHKLINE LLC (US) 2015-03-04 EP disclosed
EP-2566328-B1 INDAZOLES GLAXOSMITHKLINE LLC (US) 2015-03-04 EP disclosed
US-20140350013-A1 INDAZOLES GLAXOSMITHKLINE LLC 2014-11-27 US disclosed
US-20140350013-A1 INDAZOLES GLAXOSMITHKLINE LLC 2014-11-27 US disclosed
US-20140350013-A1 INDAZOLES GLAXOSMITHKLINE LLC 2014-11-27 US disclosed
US-8846935-B2 Indazoles GLAXOSMITHKLINE LLC (US) 2014-09-30 US disclosed
US-8846935-B2 Indazoles GLAXOSMITHKLINE LLC (US) 2014-09-30 US disclosed
US-8846935-B2 Indazoles GLAXOSMITHKLINE LLC (US) 2014-09-30 US disclosed
WO-2013067300-A1 METHOD OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2013-05-10 WO disclosed
WO-2013067300-A1 METHOD OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2013-05-10 WO disclosed
EP-2566328-A1 INDAZOLES GlaxoSmithKline LLC (US) 2013-03-13 EP disclosed
US-20130053383-A1 INDAZOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
US-20130053383-A1 INDAZOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
US-20130053383-A1 INDAZOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
WO-2011140325-A1 INDAZOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 WO disclosed
WO-2011140325-A1 INDAZOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 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 (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-20130053383-A1 INDAZOLES IDH3A, CYP3A7, IDH3B KDM4E 2573/4885PPARA 3231/4885HTT 4831/4885
US-20140350013-A1 INDAZOLES IDH3A, CYP3A7, IDH3B KDM4E 2573/4885PPARA 3231/4885HTT 4831/4885

“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.