SCHEMBL17865496

SCHEMBL17865496

O=C(O)c1cc2cc(Cl)cc(NC3CCNCC3)c2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.42
BRD4 O60885 3/20 0.41
ATAD2 Q6PL18 3/20 0.41
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
DDR1 Q08345 2/20 0.37
GRIN1 Q05586 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34

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) HRH4BRD4ATAD2F7F3
SCHEMBL17865525 0.90 F7 (0.41) HRH4F7F3
SCHEMBL17865491 0.86 CHEK1 (0.46) HRH4BRD4ATAD2
SCHEMBL17865508 0.80 DGAT1 (0.42) BRD4ATAD2
SCHEMBL17865497 0.79 HDAC6 (0.48) HRH4GRIN1
SCHEMBL3014663 0.77 BRD4 (0.43) BRD4ATAD2
SCHEMBL17865542 0.75 HRH4 (0.54) HRH4
SCHEMBL17865504 0.74 PIN1 (0.41) HRH4BRD4ATAD2
SCHEMBL17865527 0.74 GRIN2D (0.49) HRH4GRIN1
SCHEMBL17865657 0.73 HRH4 (0.40) HRH4BRD4ATAD2TDO2

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 HRH4 348/4885BRD4 1213/4885ATAD2 1027/4885

“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.