SCHEMBL2594019

SCHEMBL2594019

C/C(O)=C\C(=O)c1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.52
HTT P42858 2/20 0.52
GAA P10253 3/20 0.51
MAPT P10636 3/20 0.51
HPGD P15428 3/20 0.51
LMNA P02545 2/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
MAPK1 P28482 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 1/20 0.44
CYP1A2 P05177 4/20 0.44

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
SCHEMBL2594020 1.00 NAPRT (0.52) NAPRTHTTGAAMAPTHPGD
SCHEMBL2594017 1.00 NAPRT (0.52) NAPRTHTTGAAMAPTHPGD
SCHEMBL10984963 0.80 NFE2L2 (0.64) NAPRTGAAMAPTHPGDLMNA
SCHEMBL10984957 0.80 NFE2L2 (0.64) NAPRTGAAMAPTHPGDLMNA
SCHEMBL3309518 0.79 NAPRT (0.52) NAPRTHTTGAAMAPTHPGD
SCHEMBL3309520 0.79 NAPRT (0.52) NAPRTHTTGAAMAPTHPGD
SCHEMBL3309513 0.79 NAPRT (0.52) NAPRTHTTGAAMAPTHPGD
SCHEMBL11013553 0.79 CYP1A2 (0.60) NAPRTHTTGAAMAPTHPGD
SCHEMBL11013551 0.79 CYP1A2 (0.60) NAPRTHTTGAAMAPTHPGD
SCHEMBL29423291 0.78 NFE2L2 (0.61) NAPRTGAAMAPTHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10478426-B2 Enhancer of Zeste Homolog 2 inhibitors GLAXOSMITHKLINE LLC (US) 2019-11-19 US disclosed
US-20180207144-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS GLAXOSMITHKLINE LLC 2018-07-26 US disclosed
US-9956210-B2 Enhancer of zeste homolog 2 inhibitors GLAXOSMITHKLINE LLC (US) 2018-05-01 US 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-20170095461-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS GLAXOSMITHKLINE LLC 2017-04-06 US disclosed
US-9562041-B2 Enhancer of zeste homolog 2 inhibitors GLAXOSMITHKLINE LLC (US) 2017-02-07 US disclosed
US-20160296518-A1 INDOLES GLAXOSMITHKLINE LLC 2016-10-13 US disclosed
EP-2646020-B1 INDOLES GLAXOSMITHKLINE LLC (US) 2016-09-21 EP disclosed
US-9446041-B2 Method of treatment GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-09-20 US disclosed
US-20130245016-A1 INDOLES GLAXOSMITHKLINE LLC 2013-09-19 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-2013067300-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
EP-2566328-A1 INDAZOLES GlaxoSmithKline LLC (US) 2013-03-13 EP disclosed
US-20130053397-A1 INDOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
US-20130053383-A1 INDAZOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
WO-2011140324-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 WO disclosed
WO-2011140325-A1 INDAZOLES 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-20130245016-A1 INDOLES IDO1, IDO2, INMT NAPRT 1052/4885HTT 3255/4885GAA 3880/4885
US-20130053383-A1 INDAZOLES IDH3A, CYP3A7, IDH3B NAPRT 1238/4885HTT 4831/4885GAA 1575/4885
US-20180207144-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS EZH2, EZH1, BMI1 NAPRT 3464/4885HTT 4426/4885GAA 1965/4885
US-20170095461-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS EZH2, EZH1, BMI1 NAPRT 3464/4885HTT 4426/4885GAA 1965/4885
US-10478426-B2 Enhancer of Zeste Homolog 2 inhibitors EZH2, EZH1, BMI1 NAPRT 3464/4885HTT 4426/4885GAA 1965/4885
US-20130053397-A1 INDOLES IDO1, IDO2, INMT NAPRT 1046/4885HTT 3415/4885GAA 3907/4885
US-20160296518-A1 INDOLES IDO1, IDO2, INMT NAPRT 1052/4885HTT 3255/4885GAA 3880/4885

“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.