SCHEMBL17865656

SCHEMBL17865656

Cc1cc(NC2CCCC2)c2[nH]c(CN3CCS(=O)(=O)CC3)cc2c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
EPHX2 P34913 1/20 0.34
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 1/20 0.32
PLAT P00750 1/20 0.32
ALOX15 P16050 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
BRD4 O60885 2/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 1/20 0.30
ATAD2 Q6PL18 1/20 0.30
GUSB P08236 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
JAK1 P23458 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
SCHEMBL17865705 0.85 KDM4E (0.38) KMT2AMEN1NPC1ALDH1A1RAB9A
SCHEMBL17865640 0.79 NPC1 (0.34) KMT2AMEN1NPC1ALDH1A1RAB9A
SCHEMBL17865668 0.77 HRH3 (0.33) ALDH1A1HRH4DRD4DRD3JAK1
SCHEMBL16523105 0.76 RAB9A (0.36) KMT2AMEN1NPC1ALDH1A1RAB9A
SCHEMBL17865573 0.72 HDAC6 (0.39) KMT2AMEN1ALDH1A1HRH4JAK1
SCHEMBL3420155 0.71 ACP1 (0.43) DRD4
SCHEMBL27800859 0.70 HCAR3 (0.41) KMT2ARAB9AALOX15HDAC8
SCHEMBL2995429 0.70 ALDH1A1 (0.41) NPC1ALDH1A1RAB9ABRD4JAK1
SCHEMBL3415489 0.70 VCP (0.40) KMT2AMEN1ALDH1A1DRD4
SCHEMBL17865680 0.69 DRD2 (0.33) ALDH1A1DRD4DRD3JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10927097-B2 Indole compound as inhibitor of necrosis LG CHEM, LTD. (KR) 2021-02-23 US claimed
EP-3037418-B1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG CHEMICAL LTD (KR) 2019-10-02 EP claimed
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG LIFE SCIENCES LTD. (KR) 2016-07-14 US claimed
EP-3037418-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG Life Sciences Ltd. (KR) 2016-06-29 EP claimed
US-10927097-B2 Indole compound as inhibitor of necrosis LG CHEM, LTD. (KR) 2021-02-23 US disclosed
EP-3037418-B1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG CHEMICAL LTD (KR) 2019-10-02 EP disclosed
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG LIFE SCIENCES LTD. (KR) 2016-07-14 US disclosed
EP-3037418-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG Life Sciences Ltd. (KR) 2016-06-29 EP 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 (2 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-10927097-B2 Indole compound as inhibitor of necrosis IDO1, IDO2, TNF KMT2A 4108/4885MEN1 1837/4885EPHX2 2953/4885
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS IDO1, IDO2, TNF KMT2A 3771/4885MEN1 1379/4885EPHX2 2626/4885

“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.