SCHEMBL17865668

SCHEMBL17865668

O=S1(=O)CCN(CCc2cc3cc(Cl)cc(NC4CCCC4)c3[nH]2)CC1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.33
KAT2B Q92831 2/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
CHRNA7 P36544 2/20 0.33
VCP P55072 1/20 0.32
JAK1 P23458 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
KDM4C Q9H3R0 1/20 0.30
HRH4 Q9H3N8 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
SCHEMBL17865680 0.91 DRD2 (0.33) DRD2DRD4DRD3CHRNA7VCP
SCHEMBL17865647 0.80 CCNT1 (0.34) DRD2DRD4DRD3CHRNA7ALDH1A1
SCHEMBL16525685 0.78 TDO2 (0.35) KDM4C
SCHEMBL1277391 0.78 VCP (0.31) VCP
SCHEMBL1277390 0.78 VCP (0.31) VCP
SCHEMBL17865656 0.77 KMT2A (0.37) DRD4DRD3JAK1ALDH1A1HRH4
SCHEMBL16525580 0.75 SYK (0.38) DRD2DRD4DRD3VCP
SCHEMBL16525679 0.75 TDO2 (0.36) KDM4C
SCHEMBL3008069 0.74 VCP (0.41) VCPJAK1ALDH1A1HTTNCOA1
SCHEMBL16525573 0.73 KMT2A (0.40) KAT2BVCPJAK1ALDH1A1KDM4C

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 HRH3 561/4885KAT2B 3011/4885DRD2 1227/4885
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS IDO1, IDO2, TNF HRH3 764/4885KAT2B 3192/4885DRD2 1056/4885

“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.