SCHEMBL2592905

SCHEMBL2592905

CCOC(=O)c1cc(Br)cc2c1ccn2C1CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
OPRK1 P41145 3/20 0.40
KDM4E B2RXH2 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
WDR5 P61964 1/20 0.38
CASP3 P42574 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRB2 P47870 1/20 0.37
GAA P10253 2/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL2596068 0.87 OPRK1 (0.42) ALDH1A1SMN1; SMN2OPRK1GAA
SCHEMBL2592735 0.82 PRPS1 (0.39) OPRK1MAPT
SCHEMBL2592646 0.81 KDM4E (0.41) ALDH1A1LMNAOPRK1KDM4ERXFP1
SCHEMBL2588328 0.76 PIK3CD (0.39) ALDH1A1LMNAKDM4ERXFP1GAA
SCHEMBL19621047 0.76 LMNA (0.44) ALDH1A1LMNASMN1; SMN2KDM4ENPSR1
SCHEMBL7131487 0.76 LMNA (0.55) ALDH1A1MAPK1LMNASMN1; SMN2OPRK1
SCHEMBL7512469 0.74 LMNA (0.58) ALDH1A1LMNASMN1; SMN2OPRK1KDM4E
SCHEMBL29576838 0.74 LMNA (0.58) ALDH1A1LMNASMN1; SMN2OPRK1KDM4E
SCHEMBL308369 0.73 CA12 (0.48) ALDH1A1MAPK1NPSR1
SCHEMBL308549 0.71 GLA (0.41) ALDH1A1MAPK1NPSR1GAAMEN1

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 20 patents. 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
US-9649307-B2 Indoles GLAXOSMITHKLINE LLC (US) 2017-05-16 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
EP-2773754-B1 Compounds for use in the treatment of T-cell mediated diseases GLAXOSMITHKLINE IP NO 2 LTD (GB) 2016-08-03 EP disclosed
US-9402836-B2 Indoles GLAXOSMITHKLINE LLC (US) 2016-08-02 US disclosed
US-20160074394-A1 METHOD OF TREATMENT GLAXOSMITHKLINE LLC 2016-03-17 US disclosed
US-9242962-B2 Method of treatment GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-01-26 US disclosed
US-20150313887-A1 INDOLES GLAXOSMITHKLINE LLC 2015-11-05 US disclosed
US-9114141-B2 Indoles GLAXOSMITHKLINE LLC (US) 2015-08-25 US disclosed
US-20150141436-A1 INDOLES KIDS2, INC. 2015-05-21 US disclosed
US-8975291-B2 Indoles GLAXOSMITHKLINE LLC (US) 2015-03-10 US disclosed
US-20140256739-A1 METHOD OF TREATMENT GLAXOSMITHKLINE LLC 2014-09-11 US disclosed
EP-2773754-A1 METHOD OF TREATMENT Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2014-09-10 EP disclosed
US-20130345200-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2013-12-26 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
EP-2566327-A1 INDOLES GlaxoSmithKline LLC (US) 2013-03-13 EP disclosed
US-20130053397-A1 INDOLES GLAXOSMITHKLINE LLC 2013-02-28 US 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 (7 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-20160074394-A1 METHOD OF TREATMENT EZH1, EZH2, SUV39H2 ALDH1A1 1584/4885MAPK1 1293/4885LMNA 4613/4885
US-20150141436-A1 INDOLES IDO1, IDO2, INMT ALDH1A1 38/4885MAPK1 3896/4885LMNA 3727/4885
US-20140256739-A1 METHOD OF TREATMENT EZH1, EZH2, SUV39H2 ALDH1A1 1584/4885MAPK1 1293/4885LMNA 4613/4885
US-20150313887-A1 INDOLES IDO1, IDO2, INMT ALDH1A1 38/4885MAPK1 3896/4885LMNA 3727/4885
US-20130345200-A1 INDOLES IDO1, IDO2, INMT ALDH1A1 38/4885MAPK1 3896/4885LMNA 3727/4885
US-20130053397-A1 INDOLES IDO1, IDO2, INMT ALDH1A1 45/4885MAPK1 3975/4885LMNA 3700/4885
US-20160296518-A1 INDOLES IDO1, IDO2, INMT ALDH1A1 38/4885MAPK1 3896/4885LMNA 3727/4885

“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.