SCHEMBL3019812

SCHEMBL3019812

O=C(CC1CSC(c2cc3cc(Cl)cc(NCC4CCOCC4)c3[nH]2)=N1)N1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.36
CSF1R P07333 1/20 0.33
HSD11B1 P28845 1/20 0.32
TDO2 P48775 1/20 0.32
ENPP2 Q13822 1/20 0.32
NPY5R Q15761 1/20 0.32
CCNK O75909 1/20 0.31
CDK9 P50750 1/20 0.31
CNR2 P34972 5/20 0.31
CYP2C9 P11712 3/20 0.31
CYP3A4 P08684 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C19 P33261 2/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
SYK P43405 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL3019811 1.00 LRRK2 (0.36) LRRK2CSF1RHSD11B1TDO2ENPP2
SCHEMBL1277591 0.89 TTK (0.33) LRRK2CSF1RHSD11B1ENPP2CNR2
SCHEMBL1277587 0.89 TTK (0.33) LRRK2CSF1RHSD11B1ENPP2CNR2
SCHEMBL3029306 0.89 CSF1R (0.33) CSF1RTDO2CCNKCDK9CNR2
SCHEMBL3029304 0.89 CSF1R (0.33) CSF1RTDO2CCNKCDK9CNR2
SCHEMBL3024062 0.88 RIPK1 (0.35) LRRK2NPY5RCNR2CYP3A4IRAK4
SCHEMBL3024058 0.88 RIPK1 (0.35) LRRK2NPY5RCNR2CYP3A4IRAK4
SCHEMBL3032060 0.87 CCNK (0.33) LRRK2CSF1RTDO2CCNKCDK9
SCHEMBL3032057 0.87 CCNK (0.33) LRRK2CSF1RTDO2CCNKCDK9
SCHEMBL1277673 0.87 TTK (0.36) LRRK2HSD11B1ENPP2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2010-08-19 US claimed
EP-2178869-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG Life Sciences Ltd. (KR) 2010-04-28 EP claimed
WO-2009025477-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2009-02-26 WO claimed
US-8889691-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2014-11-18 US disclosed
US-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2014-01-23 US disclosed
US-8569307-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2013-10-29 US disclosed
US-20120252798-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG CHEM, LTD. (KR) 2012-10-04 US disclosed
US-8222414-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2012-07-17 US disclosed
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2010-08-19 US disclosed
EP-2178869-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG Life Sciences Ltd. (KR) 2010-04-28 EP disclosed
WO-2009025477-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2009-02-26 WO 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 (3 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-20120252798-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF LRRK2 341/4885CSF1R 3409/4885HSD11B1 707/4885
US-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF LRRK2 341/4885CSF1R 3409/4885HSD11B1 707/4885
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF LRRK2 341/4885CSF1R 3409/4885HSD11B1 707/4885

“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.