SCHEMBL14717434

SCHEMBL14717434

CC(C)n1ccc2c(C(=O)O)cc(OCCN3CCOCC3)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 4/20 0.48
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
PRKAB2 O43741 1/20 0.46
PRKAG1 P54619 1/20 0.46
PRKAA2 P54646 1/20 0.46
PRKAA1 Q13131 1/20 0.46
PRKAG3 Q9UGI9 1/20 0.46
PRKAG2 Q9UGJ0 1/20 0.46
PRKAB1 Q9Y478 1/20 0.46
NPC1 O15118 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
RAB9A P51151 3/20 0.45
LMNA P02545 1/20 0.43
ACACB O00763 1/20 0.43
HPGD P15428 1/20 0.42

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
SCHEMBL14717102 0.91 KDM4E (0.47) KDM4EALDH1A1GAAPRKAB2PRKAG1
SCHEMBL14717869 0.89 PRKAB2 (0.46) KDM4EALDH1A1TP53SMN1; SMN2GAA
SCHEMBL14727056 0.76 EZH2 (0.58)
SCHEMBL19620983 0.76 SMN1; SMN2 (0.35) KDM4EALDH1A1SMN1; SMN2GAANPC1
SCHEMBL30344808 0.75 KDM4E (0.62) KDM4EALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL21830267 0.73 KDM4E (0.57) KDM4EALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL3569092 0.73 KDM4E (0.65) KDM4EALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL15881963 0.72 KDM4E (0.51) KDM4EALDH1A1TP53TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL20575883 0.72 KDM4E (0.64) KDM4EALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL23809425 0.72 CNR2 (0.45) NPC1MEN1KMT2ARAB9A

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 21 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 claimed
EP-2773754-B1 Compounds for use in the treatment of T-cell mediated diseases GLAXOSMITHKLINE IP NO 2 LTD (GB) 2016-08-03 EP claimed
EP-2566327-A1 INDOLES GlaxoSmithKline LLC (US) 2013-03-13 EP claimed
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-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
US-20130053397-A1 INDOLES GLAXOSMITHKLINE LLC 2013-02-28 US 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 (6 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 KDM4E 130/4885ALDH1A1 1584/4885TP53 2668/4885
US-20150141436-A1 INDOLES IDO1, IDO2, INMT KDM4E 1312/4885ALDH1A1 38/4885TP53 12/4885
US-20140256739-A1 METHOD OF TREATMENT EZH1, EZH2, SUV39H2 KDM4E 130/4885ALDH1A1 1584/4885TP53 2668/4885
US-20130345200-A1 INDOLES IDO1, IDO2, INMT KDM4E 1312/4885ALDH1A1 38/4885TP53 12/4885
US-20130053397-A1 INDOLES IDO1, IDO2, INMT KDM4E 1253/4885ALDH1A1 45/4885TP53 12/4885
US-20160296518-A1 INDOLES IDO1, IDO2, INMT KDM4E 1312/4885ALDH1A1 38/4885TP53 12/4885

“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.