SCHEMBL2586085

SCHEMBL2586085

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.41
ALDH1A1 P00352 6/20 0.41
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
S1PR3 Q99500 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
ESRRB O95718 1/20 0.36

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
SCHEMBL2591160 0.89 HPGD (0.39) KDM4EALDH1A1LMNAHPGDMEN1
SCHEMBL18864371 0.81 MAPT (0.38) KDM4EALDH1A1LMNAHPGDTDP1
SCHEMBL14717102 0.80 KDM4E (0.47) KDM4EALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL2589296 0.80 SMN1; SMN2 (0.43) KDM4EALDH1A1LMNAHPGDTDP1
SCHEMBL14717869 0.78 PRKAB2 (0.46) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL18864295 0.78 HTR6 (0.37) KDM4EALDH1A1LMNAHPGDTDP1
SCHEMBL2595998 0.74 EZH2 (0.37) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL2594952 0.74 EZH2 (0.52)
SCHEMBL17970375 0.73 EZH2 (0.37) KDM4EALDH1A1KMT2A
SCHEMBL14727054 0.73 EZH2 (0.40) KDM4EALDH1A1

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 56 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
US-9402836-B2 Indoles GLAXOSMITHKLINE LLC (US) 2016-08-02 US claimed
US-20150313887-A1 INDOLES GLAXOSMITHKLINE LLC 2015-11-05 US claimed
US-8975291-B2 Indoles GLAXOSMITHKLINE LLC (US) 2015-03-10 US claimed
US-20130345200-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2013-12-26 US 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
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
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 (4 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-20150313887-A1 INDOLES IDO1, IDO2, INMT KDM4E 1312/4885ALDH1A1 38/4885LMNA 3727/4885
US-20130345200-A1 INDOLES IDO1, IDO2, INMT KDM4E 1312/4885ALDH1A1 38/4885LMNA 3727/4885
US-20130053397-A1 INDOLES IDO1, IDO2, INMT KDM4E 1253/4885ALDH1A1 45/4885LMNA 3700/4885
US-20160296518-A1 INDOLES IDO1, IDO2, INMT KDM4E 1312/4885ALDH1A1 38/4885LMNA 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.