SCHEMBL17865502

SCHEMBL17865502

O=C(c1cc2cc(Cl)cc(NC3CCCC3)c2[nH]1)N1CCC(CN2CCCCC2)C1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 13/20 0.49
MAPT P10636 4/20 0.43
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.40
SYK P43405 1/20 0.39
CCR1 P32246 1/20 0.39
AKR1C3 P42330 1/20 0.39

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
SCHEMBL17865550 0.93 HRH4 (0.47) HRH4MAPTLMNATP53SYK
SCHEMBL17865516 0.88 HRH4 (0.52) HRH4CCR1AKR1C3
SCHEMBL17865542 0.84 HRH4 (0.54) HRH4
SCHEMBL17865533 0.83 HRH4 (0.48) HRH4CCR1AKR1C3
SCHEMBL17865498 0.83 HRH4 (0.54) HRH4CCR1
SCHEMBL17865543 0.83 HRH4 (0.54) HRH4CCR1
SCHEMBL17865509 0.81 HRH4 (0.53) HRH4CCR1
SCHEMBL17865494 0.81 HRH4 (0.50) HRH4CCR1AKR1C3
SCHEMBL17865493 0.81 HRH4 (0.50) HRH4CCR1AKR1C3
SCHEMBL17865513 0.80 HRH4 (0.49) HRH4CCR1AKR1C3

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 14 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
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-9868731-B2 Indole amide compound as inhibitor of necrosis LG CHEM, LTD. (KR) 2018-01-16 US 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
US-20160194313-A1 INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS LG LIFE SCIENCES LTD. (KR) 2016-07-07 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
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 348/4885MAPT 1663/4885LMNA 1857/4885

“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.