SCHEMBL17865640

SCHEMBL17865640

Cc1cc(NCC2CCOCC2)c2[nH]c(CN3CCS(=O)(=O)CC3)cc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CSF1R P07333 1/20 0.33
RIPK2 O43353 1/20 0.33
BRD4 O60885 1/20 0.32
MET P08581 1/20 0.32
AXL P30530 1/20 0.32
MERTK Q12866 1/20 0.32
CCNT1 O60563 4/20 0.31
CDK9 P50750 3/20 0.31
PIK3CG P48736 2/20 0.31
PIK3CD O00329 1/20 0.31
PIK3C2B O00750 1/20 0.31
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
RAB9A P51151 2/20 0.31
HSD17B10 Q99714 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
SCHEMBL17865675 0.82 KDM4E (0.36) ALDH1A1KMT2AMEN1CSF1RRIPK2
SCHEMBL17865647 0.79 CCNT1 (0.34) ALDH1A1CSF1RCCNT1CDK9
SCHEMBL17865656 0.79 KMT2A (0.37) NPC1ALDH1A1KMT2AMEN1BRD4
SCHEMBL3416977 0.78 RIPK2 (0.31) RIPK2
SCHEMBL1897985 0.75 CSF1R (0.43) ALDH1A1CSF1RRIPK2
SCHEMBL31043039 0.75 CSF1R (0.43) ALDH1A1CSF1RRIPK2
SCHEMBL29838033 0.73 CSF1R (0.40) ALDH1A1CSF1RBRD4
SCHEMBL17865705 0.72 KDM4E (0.38) NPC1ALDH1A1KMT2AMEN1CSF1R
SCHEMBL3419136 0.72 CSF1R (0.41) NPC1ALDH1A1CSF1RRAB9A
SCHEMBL17865677 0.71 KMT2A (0.39) ALDH1A1KMT2ACSF1RCCNT1CDK9

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 NPC1 1452/4885ALDH1A1 3181/4885KMT2A 4108/4885
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS IDO1, IDO2, TNF NPC1 1178/4885ALDH1A1 3023/4885KMT2A 3771/4885

“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.