SCHEMBL3005233

SCHEMBL3005233

Cc1cc(NC2CCCC2)c2[nH]c(-c3cccc(C)n3)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
IDH1 O75874 2/20 0.40
BRD4 O60885 3/20 0.37
ATAD2 Q6PL18 3/20 0.37
ALDH1A1 P00352 5/20 0.35
CACNA1B Q00975 2/20 0.35
APBA1 Q02410 2/20 0.35
HTT P42858 2/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
PIM1 P11309 5/20 0.35
PIM2 Q9P1W9 5/20 0.35
CCR1 P32246 1/20 0.34
CCR8 P51685 1/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 1/20 0.34
ITK Q08881 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
CDC7 O00311 1/20 0.33

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
SCHEMBL3007498 0.85 ALDH1A1 (0.46) ADORA2AADORA1BRD4ATAD2ALDH1A1
SCHEMBL3007959 0.84 GPR39 (0.47) ADORA2AADORA1BRD4ATAD2ALDH1A1
SCHEMBL3005238 0.81 NPY5R (0.45) ADORA2AADORA1KMT2ALMNACDC7
SCHEMBL2995601 0.78 NPY5R (0.43) ALDH1A1HTTMAPK1PIM1LMNA
SCHEMBL2998551 0.76 LRRK2 (0.42) BRD4ATAD2ALDH1A1HTTMAPK1
SCHEMBL3416220 0.75 ALDH1A1 (0.40) BRD4ATAD2ALDH1A1HTTMAPK1
SCHEMBL3012816 0.75 ALDH1A1 (0.43) BRD4ATAD2ALDH1A1HTTLMNA
SCHEMBL3418481 0.74 SYK (0.37) BRD4ALDH1A1ITKKDM4EL3MBTL1
SCHEMBL3803944 0.73 KMT2A (0.41) BRD4ATAD2ALDH1A1HTTKMT2A
SCHEMBL2999198 0.72 ALOX15 (0.41) ALDH1A1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8436038-B2 Indole and indazole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2013-05-07 US 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
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-20100197673-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD (KR) 2010-08-05 US claimed
CN-101784543-A Indole and indazole compounds as inhibitors of cellular necrosis LG LIFE SCIENCES LTD 2010-07-21 CN claimed
EP-2178870-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG Life Sciences Ltd. (KR) 2010-04-28 EP claimed
WO-2009025478-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2009-02-26 WO claimed
US-9000028-B2 Indole and indazole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2015-04-07 US 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
EP-2230238-B1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG LIFE SCIENCES LTD (KR) 2013-12-11 EP disclosed
CN-101784543-B Indole and indazole compounds as inhibitors of cellular necrosis LG LIFE SCIENCES LTD 2013-10-16 CN disclosed
EP-2178870-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG Life Sciences Ltd. (KR) 2010-04-28 EP 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-2009025478-A1 INDOLE AND INDAZOLE 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 ADORA2A 576/4885ADORA1 293/4885IDH1 469/4885
US-20100197673-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, NFATC1 ADORA2A 1585/4885ADORA1 1243/4885IDH1 88/4885
US-20100291533-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT IDO1, IDO2, INMT ADORA2A 576/4885ADORA1 293/4885IDH1 469/4885

“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.