SCHEMBL3020265

SCHEMBL3020265

Cc1cc(NCC2CCCC2)c2[nH]c(C3=N[C@@H](CC(=O)O)CS3)cc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ASPH Q12797 1/20 0.34
RIOX2 Q8IUF8 1/20 0.34
KDM8 Q8N371 1/20 0.34
GABRA1 P14867 3/20 0.34
GABRR1 P24046 3/20 0.34
GABRA5 P31644 3/20 0.34
GABRB2 P47870 3/20 0.34
GABRA4 P48169 3/20 0.34
SLC6A12 P48065 1/20 0.34
SLC6A13 Q9NSD5 1/20 0.34
CD38 P28907 1/20 0.34
KDM4C Q9H3R0 2/20 0.33
ITK Q08881 1/20 0.32
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
TP53 P04637 1/20 0.31
MDM2 Q00987 1/20 0.31
CHRM4 P08173 1/20 0.31
MEN1 O00255 1/20 0.30

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
SCHEMBL3020266 1.00 KDM4E (0.34) KDM4EASPHRIOX2KDM8GABRA1
SCHEMBL1277860 0.96 GABRA1 (0.35) GABRA1GABRR1GABRA5GABRB2GABRA4
SCHEMBL1277855 0.96 GABRA1 (0.35) GABRA1GABRR1GABRA5GABRB2GABRA4
SCHEMBL3019937 0.92 RIPK2 (0.34) GABRA1GABRR1GABRA5GABRB2GABRA4
SCHEMBL1278224 0.92 RIPK2 (0.34) GABRA1GABRR1GABRA5GABRB2GABRA4
SCHEMBL1278228 0.92 RIPK2 (0.34) GABRA1GABRR1GABRA5GABRB2GABRA4
SCHEMBL1277926 0.88 GABRA1 (0.34) GABRA1GABRR1GABRA5GABRB2GABRA4
SCHEMBL1278167 0.88 GABRA1 (0.34) GABRA1GABRR1GABRA5GABRB2GABRA4
SCHEMBL1277931 0.88 GABRA1 (0.34) GABRA1GABRR1GABRA5GABRB2GABRA4
SCHEMBL1277696 0.86 GABRA1 (0.34) GABRA1GABRR1GABRA5GABRB2GABRA4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2010-08-19 US claimed
US-8889691-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2014-11-18 US disclosed
CN-101801965-B Indole compounds as inhibitors of cellular necrosis LG LIFE SCIENCES LTD 2014-07-30 CN disclosed
US-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2014-01-23 US disclosed
US-8569307-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2013-10-29 US disclosed
US-20120252798-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG CHEM, LTD. (KR) 2012-10-04 US disclosed
US-8222414-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2012-07-17 US disclosed
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2010-08-19 US disclosed
EP-2178869-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG Life Sciences Ltd. (KR) 2010-04-28 EP disclosed
WO-2009025477-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2009-02-26 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 (3 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-20120252798-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF KDM4E 4065/4885ASPH 925/4885RIOX2 1621/4885
US-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF KDM4E 4065/4885ASPH 925/4885RIOX2 1621/4885
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF KDM4E 4065/4885ASPH 925/4885RIOX2 1621/4885

“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.