SCHEMBL3018418

SCHEMBL3018418

Cc1cc(NC2CCCC2)c2[nH]c(-c3nc(CO)cs3)cc2c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.37
CDK2 P24941 2/20 0.37
ZAP70 P43403 2/20 0.37
SYK P43405 2/20 0.37
FLT3 P36888 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
GAS6 Q14393 1/20 0.34
TYK2 P29597 1/20 0.34
GUSB P08236 1/20 0.32
NUDT1 P36639 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SHMT1 P34896 2/20 0.31
SHMT2 P34897 2/20 0.31
DNM1L O00429 2/20 0.30
HDAC8 Q9BY41 1/20 0.30
ITK Q08881 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL3798658 0.85 GUSB (0.30) GUSB
SCHEMBL3798656 0.84 NPC1 (0.31) NPC1RAB9A
SCHEMBL3026752 0.84 BRD4 (0.39) SRCCDK2ZAP70SYKFLT3
SCHEMBL27809758 0.83 TYK2 (0.31) TYK2ALDH1A1
SCHEMBL3020621 0.83 ALDH1A1 (0.39) CDK2FLT3TYRO3MERTKGAS6
SCHEMBL3033938 0.81 SMN1; SMN2 (0.45) NPC1RAB9AALDH1A1
SCHEMBL3032674 0.81 SRC (0.38) SRCZAP70SYKFLT3TYRO3
SCHEMBL15005722 0.81 HDAC8 (0.32) TYK2HDAC8ALDH1A1
SCHEMBL15005724 0.80 ALOX15 (0.37) TYK2NPC1RAB9AHDAC8ALDH1A1
SCHEMBL3756502 0.76 NPC1 (0.31) NPC1RAB9A

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101801965-B Indole compounds as inhibitors of cellular necrosis LG LIFE SCIENCES LTD 2014-07-30 CN claimed
CN-101952281-B Indole and indazole derivatives having a cell-, tissue- and organ-preserving effect LG LIFE SCIENCES LTD 2014-04-02 CN claimed
EP-2230238-B1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG LIFE SCIENCES LTD (KR) 2013-12-11 EP claimed
EP-2178869-B1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD (KR) 2013-06-12 EP claimed
US-8349885-B2 Indole and indazole derivatives having a cell-, tissue- and organ-preserving effect LG LIFE SCIENCES LTD. (KR) 2013-01-08 US claimed
US-20120270203-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG CHEM, LTD. (KR) 2012-10-25 US claimed
US-8222414-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2012-07-17 US claimed
CN-101952281-A Indole and indazole derivatives having a cell-, tissue- and organ-preserving effect LG LIFE SCIENCES LTD 2011-01-19 CN claimed
US-20100291533-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG LIFE SCIENCES LTD. (KR) 2010-11-18 US claimed
EP-2230238-A2 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG Life Sciences Ltd. (KR) 2010-09-22 EP claimed
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2010-08-19 US claimed
CN-101801965-A Indole compounds as inhibitors of cellular necrosis LG LIFE SCIENCES LTD 2010-08-11 CN 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
CN-101801965-B Indole compounds as inhibitors of cellular necrosis LG LIFE SCIENCES LTD 2014-07-30 CN disclosed
CN-101952281-B Indole and indazole derivatives having a cell-, tissue- and organ-preserving effect LG LIFE SCIENCES LTD 2014-04-02 CN disclosed
WO-2009088192-A9 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT 주식회사 엘지생명과학 (KR) 2009-11-19 WO disclosed
WO-2009088192-A2 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG LIFE SCIENCES LTD. (KR) 2009-07-16 WO 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-20120270203-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT IDO1, IDO2, INMT SRC 1093/4885CDK2 1221/4885ZAP70 1898/4885
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF SRC 3599/4885CDK2 593/4885ZAP70 1407/4885
US-20100291533-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT IDO1, IDO2, INMT SRC 1093/4885CDK2 1221/4885ZAP70 1898/4885

“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.