SCHEMBL17865680

SCHEMBL17865680

O=S1(=O)CCN(CCc2cc3cc(Cl)cc(NC4CCOCC4)c3[nH]2)CC1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
MAPK1 P28482 2/20 0.33
SELP P16109 1/20 0.32
TYRO3 Q06418 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
CHRNA7 P36544 2/20 0.31
PLK4 O00444 1/20 0.31
NTRK1 P04629 1/20 0.31
CNR2 P34972 2/20 0.31
CSF1R P07333 1/20 0.31
PYGL P06737 1/20 0.31
VCP P55072 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
SCHEMBL17865668 0.91 HRH3 (0.33) DRD2DRD4DRD3ALDH1A1HTT
SCHEMBL17865647 0.87 CCNT1 (0.34) DRD2DRD4DRD3ALDH1A1HTT
SCHEMBL3008069 0.83 VCP (0.41) MAPK1ALDH1A1HTTNCOA1NCOA3
SCHEMBL17865702 0.76 CSF1R (0.39) DRD2DRD4DRD3CHRNA7CNR2
SCHEMBL16525580 0.73 SYK (0.38) DRD2DRD4DRD3TYRO3VCP
SCHEMBL1277391 0.70 VCP (0.31) VCP
SCHEMBL1277390 0.70 VCP (0.31) VCP
SCHEMBL17865701 0.70 KMT2A (0.35) DRD2DRD4DRD3ALDH1A1CSF1R
SCHEMBL29386984 0.69 CSF1R (0.42) DRD2DRD4DRD3MAPK1CSF1R
SCHEMBL1897623 0.69 CSF1R (0.42) DRD2DRD4DRD3MAPK1CSF1R

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 6 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
EP-3037418-B1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG CHEMICAL LTD (KR) 2019-10-02 EP 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 DRD2 1227/4885DRD4 1850/4885DRD3 1862/4885
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS IDO1, IDO2, TNF DRD2 1056/4885DRD4 1510/4885DRD3 1612/4885

“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.