SCHEMBL2594898

SCHEMBL2594898

CC(C)n1ccc2c(C(=O)O)cc(Br)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 2/20 0.38
MYC P01106 1/20 0.38
AKR1C3 P42330 3/20 0.38
AKR1C1 Q04828 3/20 0.38
AKR1C2 P52895 2/20 0.38
AKR1C4 P17516 1/20 0.38
HSD17B10 Q99714 1/20 0.37
EZH2 Q15910 1/20 0.37
KDM4E B2RXH2 4/20 0.37
GLA P06280 2/20 0.37
DHODH Q02127 1/20 0.36
HCAR3 P49019 1/20 0.35
MCL1 Q07820 2/20 0.35
MGLL Q99685 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
RXFP1 Q9HBX9 2/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 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
SCHEMBL17970578 0.86 HCAR3 (0.35) NR4A1MYCAKR1C3AKR1C1AKR1C2
SCHEMBL2591110 0.84 MAPT (0.40) EZH2KDM4EKMT2AMEN1TSHR
SCHEMBL17970366 0.84 EZH2 (0.35) EZH2MGLLALDH1A1
SCHEMBL17970375 0.83 EZH2 (0.37) MYCHSD17B10EZH2KDM4EHCAR3
SCHEMBL14727054 0.83 EZH2 (0.40) MYCHSD17B10EZH2KDM4EDHODH
SCHEMBL2595998 0.82 EZH2 (0.37) HSD17B10EZH2KDM4EHCAR3MGLL
SCHEMBL12180506 0.82 EZH2 (0.37) HSD17B10EZH2KDM4EHCAR3MGLL
SCHEMBL12180507 0.82 ALDH1A1 (0.39) NR4A1MYCAKR1C3AKR1C1AKR1C2
SCHEMBL19621047 0.81 LMNA (0.44) EZH2KDM4EGLAKMT2AMEN1
SCHEMBL1622103 0.80 MYC (0.42) NR4A1MYCAKR1C3AKR1C1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3246027-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2017-11-22 EP disclosed
EP-3246027-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2017-11-22 EP disclosed
US-9649307-B2 Indoles GLAXOSMITHKLINE LLC (US) 2017-05-16 US disclosed
US-9649307-B2 Indoles GLAXOSMITHKLINE LLC (US) 2017-05-16 US disclosed
US-9649307-B2 Indoles GLAXOSMITHKLINE LLC (US) 2017-05-16 US disclosed
EP-2566327-B1 INDOLES GLAXOSMITHKLINE LLC (US) 2017-03-29 EP disclosed
US-20160296518-A1 INDOLES GLAXOSMITHKLINE LLC 2016-10-13 US disclosed
US-20160296518-A1 INDOLES GLAXOSMITHKLINE LLC 2016-10-13 US disclosed
US-20160296518-A1 INDOLES GLAXOSMITHKLINE LLC 2016-10-13 US disclosed
US-9446041-B2 Method of treatment GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-09-20 US disclosed
US-8536179-B2 Indoles GLAXOSMITHKLINE LLC (US) 2013-09-17 US disclosed
WO-2013067296-A1 METHOD OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (No 2) LIMITED (GB) 2013-05-10 WO disclosed
WO-2013067296-A1 METHOD OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (No 2) LIMITED (GB) 2013-05-10 WO disclosed
EP-2566327-A1 INDOLES GlaxoSmithKline LLC (US) 2013-03-13 EP disclosed
CN-102970869-A Indoles GLAXOSMITHKLINE LLC 2013-03-13 CN disclosed
US-20130053397-A1 INDOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
US-20130053397-A1 INDOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
US-20130053397-A1 INDOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
WO-2011140324-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 WO disclosed
WO-2011140324-A1 INDOLES 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-20130053397-A1 INDOLES IDO1, IDO2, INMT NR4A1 1628/4885MYC 18/4885AKR1C3 764/4885
US-20160296518-A1 INDOLES IDO1, IDO2, INMT NR4A1 1665/4885MYC 19/4885AKR1C3 759/4885

“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.