SCHEMBL2587361

SCHEMBL2587361

COC(=O)c1cc(Br)cc2c1c(C)cn2C(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
EZH2 Q15910 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
NR4A2 P43354 2/20 0.33
GAA P10253 1/20 0.33
OPRK1 P41145 2/20 0.32
KDM4E B2RXH2 2/20 0.32
PKM P14618 1/20 0.32
NOTUM Q6P988 1/20 0.32
SLC6A3 Q01959 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL2589118 0.87 EZH2 (0.38) EZH2ALDH1A1MAPTLMNAKMT2A
SCHEMBL17970539 0.87 LMNA (0.41) CA12CA1CA2CA9ALDH1A1
SCHEMBL2591207 0.85 NOTUM (0.37) CA12CA1CA2CA9ALDH1A1
SCHEMBL17970434 0.85 CA12 (0.34) CA12CA1CA2CA9ALDH1A1
SCHEMBL2586195 0.85 HPGD (0.36) CA12CA1CA2CA9ALDH1A1
SCHEMBL2594981 0.85 MYC (0.37) CA12CA1CA2CA9EZH2
SCHEMBL2594904 0.84 ERN1 (0.35) CA12CA1CA2CA9ALDH1A1
SCHEMBL2587259 0.84 CA12 (0.37) CA12CA1CA2CA9EZH2
SCHEMBL12180225 0.82 NR4A2 (0.43) ALDH1A1MAPTLMNAKMT2ANR4A2
SCHEMBL2592384 0.81 LMNA (0.38) CA12CA1CA2CA9EZH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018081530-A1 COMPOSITIONS AND METHODS FOR TREATING EZH2-MEDIATED CANCER ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2018-05-03 WO disclosed
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
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
WO-2013067296-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
EP-2566327-A1 INDOLES GlaxoSmithKline LLC (US) 2013-03-13 EP disclosed
US-20130053383-A1 INDAZOLES 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
US-20130053397-A1 INDOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
WO-2011140325-A1 INDAZOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 WO 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 (3 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 CA12 2083/4885CA1 4058/4885CA2 4033/4885
US-20130053397-A1 INDOLES IDO1, IDO2, INMT CA12 1121/4885CA1 3260/4885CA2 3229/4885
US-20160296518-A1 INDOLES IDO1, IDO2, INMT CA12 1249/4885CA1 3238/4885CA2 3232/4885

“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.