SCHEMBL17865647

SCHEMBL17865647

O=S1(=O)CCN(CCc2cc3cc(Cl)cc(NCC4CCOCC4)c3[nH]2)CC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 5/20 0.34
CDK9 P50750 4/20 0.34
CSF1R P07333 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CNR2 P34972 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
SYK P43405 1/20 0.30
CHRNA7 P36544 1/20 0.30
FGFR1 P11362 1/20 0.30
FGFR2 P21802 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
SCHEMBL17865702 0.90 CSF1R (0.39) CCNT1CDK9CSF1RDRD2DRD4
SCHEMBL17865680 0.87 DRD2 (0.33) CSF1RDRD2DRD4DRD3CNR2
SCHEMBL17865701 0.83 KMT2A (0.35) CCNT1CDK9CSF1RDRD2DRD4
SCHEMBL17865668 0.80 HRH3 (0.33) DRD2DRD4DRD3ALDH1A1HTT
SCHEMBL17865640 0.79 NPC1 (0.34) CCNT1CDK9CSF1RALDH1A1
SCHEMBL17865677 0.75 KMT2A (0.39) CCNT1CDK9CSF1RMKNK1MKNK2
SCHEMBL17865685 0.71 CCNT1 (0.34) CCNT1CDK9CNR2
SCHEMBL31043039 0.70 CSF1R (0.43) CSF1RDRD2DRD4DRD3ALDH1A1
SCHEMBL1897985 0.70 CSF1R (0.43) CSF1RDRD2DRD4DRD3ALDH1A1
SCHEMBL3416977 0.70 RIPK2 (0.31)

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 CCNT1 2074/4885CDK9 799/4885CSF1R 2988/4885
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS IDO1, IDO2, TNF CCNT1 1790/4885CDK9 683/4885CSF1R 2352/4885

“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.