SCHEMBL17865530

SCHEMBL17865530

O=C(O)c1cc2cccc(NC3CCCC3Cl)c2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ APEX1 P27695 1/20 0.42
▸ BRD4 O60885 4/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ DAO P14920 1/20 0.38
▸ SRD5A2 P31213 1/20 0.38
▸ ATAD2 Q6PL18 3/20 0.37
▸ SMYD3 Q9H7B4 2/20 0.36
▸ NSD2 O96028 2/20 0.36
▸ SETD2 Q9BYW2 1/20 0.36
▸ HRH4 Q9H3N8 7/20 0.36
▸ EIF4A3 P38919 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
SCHEMBL3418416 0.76 APEX1 (0.47) HPGDHSD17B10MEN1USP2ALDH1A1
SCHEMBL3626110 0.70 HPGD (0.53) HPGDHSD17B10MEN1USP2ALDH1A1
SCHEMBL1144741 0.67 HPGD (0.60) HPGDHSD17B10MEN1USP2ALDH1A1
SCHEMBL3238955 0.67 MEN1 (0.49) HPGDHSD17B10MEN1USP2ALDH1A1
SCHEMBL17136028 0.67 HSD17B10 (0.64) HPGDHSD17B10MEN1USP2ALDH1A1
SCHEMBL1653805 0.66 NPC1 (0.53) HPGDHSD17B10MEN1ALDH1A1KMT2A
SCHEMBL11035155 0.65 HSD17B10 (0.62) HPGDHSD17B10MEN1USP2ALDH1A1
SCHEMBL2004648 0.65 KDM4E (0.63) HPGDHSD17B10MEN1USP2ALDH1A1
SCHEMBL17865525 0.65 F7 (0.41) MEN1ALDH1A1KMT2AHRH4
SCHEMBL3061718 0.65 WDR5 (0.50) ALDH1A1APEX1

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 HPGD 181/4885HSD17B10 1348/4885MEN1 1819/4885

“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.

Send feedback