SCHEMBL17865505

SCHEMBL17865505

O=C(O)c1cc2cc(Cl)cc(NCC3CCCN3)c2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 4/20 0.40
IDO1 P14902 3/20 0.36
CHEK1 O14757 1/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
MAOB P27338 2/20 0.35
HTR6 P50406 2/20 0.35
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
SYK P43405 2/20 0.35
KCNH2 Q12809 2/20 0.35
MAPK3 P27361 1/20 0.35
MAPK1 P28482 1/20 0.35
AURKB Q96GD4 1/20 0.35
HRH4 Q9H3N8 2/20 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
SCHEMBL17865506 0.84 MAOB (0.43) MAOBHTR6
SCHEMBL17865525 0.75 F7 (0.41) F7F3HRH4
SCHEMBL17865491 0.74 CHEK1 (0.46) CHEK1SYKKCNH2MAPK3HRH4
SCHEMBL17865496 0.73 HRH4 (0.42) TDO2IDO1F7F3HRH4
SCHEMBL17865546 0.71 BRD4 (0.43) CHEK1F7F3KCNH2HRH4
SCHEMBL17865570 0.69 F7 (0.42) TDO2IDO1F7F3HRH4
SCHEMBL23287398 0.68 KDM2B (0.43) TDO2IDO1SYKKCNH2MAPK3
SCHEMBL17865492 0.67 MCHR1 (0.38) F7F3SYKHRH4
SCHEMBL3274871 0.66 HRH4 (0.56) F7F3HRH4
SCHEMBL17865539 0.66 HRH4 (0.48) 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 TDO2 64/4885IDO1 1/4885CHEK1 3651/4885

“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.