SCHEMBL2588980

SCHEMBL2588980

COC(=O)c1cc(O)cc2c1ccn2C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.44
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
CA9 Q16790 5/20 0.44
CA7 P43166 4/20 0.44
CA14 Q9ULX7 4/20 0.44
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41
NR4A2 P43354 3/20 0.39
ESR2 Q92731 2/20 0.38
EZH2 Q15910 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
PTGS2 P35354 1/20 0.38
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
ESR1 P03372 1/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL2587224 0.84 KDM4E (0.41) NR4A2EZH2KMT2AMEN1ALDH1A1
SCHEMBL2591110 0.84 MAPT (0.40) CA12CA1CA2CA9NR4A2
SCHEMBL17970375 0.84 EZH2 (0.37) CA12CA1CA2CA9CA7
SCHEMBL16116377 0.81 NR4A2 (0.47) CA12CA1CA2CA9NR4A2
SCHEMBL16115373 0.80 EZH2 (0.38) NR4A2EZH2KMT2AMEN1ALDH1A1
SCHEMBL17970371 0.80 EZH2 (0.35) EZH2
SCHEMBL16116199 0.79 EZH2 (0.49) CA12CA1CA2CA9NR4A2
SCHEMBL16116059 0.76 NR4A2 (0.53) NR4A2LMNAALDH1A1GAAKDM4E
SCHEMBL16115274 0.74 CYP1A2 (0.45) LMNA
SCHEMBL16115713 0.74 MAPT (0.44) EZH2KMT2AMEN1ALDH1A1KDM4E

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 51 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
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-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
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
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 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.