SCHEMBL2588944

SCHEMBL2588944

CCCn1cc2c(C(=O)OC)cc(Br)cc2n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
PDE4B Q07343 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 2/20 0.36
HTT P42858 1/20 0.36
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GCK P35557 1/20 0.35
MAPK1 P28482 1/20 0.34
CNR2 P34972 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL2588229 0.90 KDM4E (0.46) PDE4DL3MBTL1ALDH1A1KMT2AKDM4E
SCHEMBL20605030 0.86 CNR2 (0.38) PDE4DL3MBTL1ALDH1A1KMT2AKDM4E
SCHEMBL20604777 0.83 SMN1; SMN2 (0.47) ALDH1A1KMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL23925140 0.82 L3MBTL1 (0.38) PDE4DL3MBTL1ALDH1A1KMT2AKDM4E
SCHEMBL17113166 0.82 L3MBTL1 (0.44) L3MBTL1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL2589630 0.76 L3MBTL1 (0.41) L3MBTL1KDM4ETSHRHTTNPSR1
SCHEMBL31431386 0.74 KMT2A (0.39) PDE4DL3MBTL1ALDH1A1KMT2AKDM4E
SCHEMBL28899593 0.73 L3MBTL1 (0.39) L3MBTL1ALDH1A1KDM4ETSHRHTT
SCHEMBL2591387 0.72 PDE1A (0.40) PDE4DL3MBTL1ALDH1A1KMT2AKDM4E
SCHEMBL16116137 0.70 NR4A2 (0.43) L3MBTL1KMT2AKDM4ETSHRHTT

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 PDE4D 4431/4885L3MBTL1 2754/4885ALDH1A1 48/4885
US-20140350013-A1 INDAZOLES IDH3A, CYP3A7, IDH3B PDE4D 4431/4885L3MBTL1 2754/4885ALDH1A1 48/4885

“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.