SCHEMBL17865491

SCHEMBL17865491

O=C(O)c1cc2cc(Cl)cc(NC3CCCNC3)c2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 6/20 0.46
KCNH2 Q12809 4/20 0.46
CSNK2A1 P68400 1/20 0.45
HIPK2 Q9H2X6 1/20 0.45
MAPKAPK2 P49137 1/20 0.39
CCNT1 O60563 1/20 0.38
CCNK O75909 1/20 0.38
CDK7 P50613 1/20 0.38
CDK9 P50750 1/20 0.38
CCNH P51946 1/20 0.38
MNAT1 P51948 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
BRD4 O60885 3/20 0.38
MAPK3 P27361 1/20 0.38
ATAD2 Q6PL18 2/20 0.37
HRH4 Q9H3N8 2/20 0.37
FLT3 P36888 1/20 0.37
PBK Q96KB5 1/20 0.37
BPTF Q12830 1/20 0.37
SYK P43405 1/20 0.37

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
SCHEMBL17865546 0.93 BRD4 (0.43) CHEK1KCNH2CSNK2A1HIPK2BRD4
SCHEMBL17865525 0.88 F7 (0.41) HRH4
SCHEMBL17865496 0.86 HRH4 (0.42) BRD4ATAD2HRH4
SCHEMBL17865505 0.74 TDO2 (0.40) CHEK1KCNH2MAPK3HRH4SYK
SCHEMBL4558593 0.74 HRH4 (0.51) CHEK1HRH4PBKSYK
SCHEMBL16523010 0.74 STK39 (0.42)
SCHEMBL17865542 0.74 HRH4 (0.54) HRH4
SCHEMBL17865504 0.73 PIN1 (0.41) BRD4ATAD2HRH4
SCHEMBL2999191 0.70 HCAR3 (0.44) CHEK1KCNH2
SCHEMBL17865543 0.69 HRH4 (0.54) HRH4

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
EP-3037412-B1 INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS LG CHEMICAL LTD (KR) 2020-09-30 EP claimed
US-9868731-B2 Indole amide compound as inhibitor of necrosis LG CHEM, LTD. (KR) 2018-01-16 US claimed
US-20160194313-A1 INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS LG LIFE SCIENCES LTD. (KR) 2016-07-07 US claimed
EP-3037412-A1 INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS LG Life Sciences Ltd. (KR) 2016-06-29 EP claimed
EP-3037412-B1 INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS LG CHEMICAL LTD (KR) 2020-09-30 EP disclosed
US-9868731-B2 Indole amide compound as inhibitor of necrosis LG CHEM, LTD. (KR) 2018-01-16 US disclosed
US-20160194313-A1 INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS LG LIFE SCIENCES LTD. (KR) 2016-07-07 US disclosed
EP-3037412-A1 INDOLE AMIDE 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 (1 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-20160194313-A1 INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS IDO1, IDO2, TNF CHEK1 3651/4885KCNH2 2638/4885CSNK2A1 852/4885

“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.