SCHEMBL3418416

SCHEMBL3418416

O=C(O)c1cc2cccc(NC3CCOCC3)c2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.47
▸ BRD4 O60885 3/20 0.46
▸ ATAD2 Q6PL18 3/20 0.46
▸ HPGD P15428 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SMYD3 Q9H7B4 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ DAO P14920 1/20 0.39
▸ SRD5A2 P31213 1/20 0.39
▸ HRH4 Q9H3N8 4/20 0.38
▸ HCAR3 P49019 2/20 0.38
▸ CREBBP Q92793 1/20 0.38
▸ SETD2 Q9BYW2 2/20 0.38
▸ NSD2 O96028 2/20 0.37
▸ CXCR2 P25025 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
SCHEMBL29205591 0.79 CSF1R (0.51) BRD4ATAD2PIM1PIM2JAK2
SCHEMBL17865530 0.76 HPGD (0.43) APEX1BRD4ATAD2HPGDHSD17B10
SCHEMBL1278198 0.75 BRD4 (0.37) BRD4ATAD2CXCR2PIM1PIM2
SCHEMBL1277730 0.75 BRD4 (0.37) BRD4ATAD2CXCR2PIM1PIM2
SCHEMBL1277725 0.75 BRD4 (0.37) BRD4ATAD2CXCR2PIM1PIM2
SCHEMBL3025091 0.74 BRD4 (0.38) BRD4ATAD2CXCR2PIM1PIM2
SCHEMBL3025095 0.74 BRD4 (0.38) BRD4ATAD2CXCR2PIM1PIM2
SCHEMBL3031562 0.74 BRD4 (0.36) BRD4ATAD2CXCR2PIM1PIM2
SCHEMBL3031565 0.74 BRD4 (0.36) BRD4ATAD2CXCR2PIM1PIM2
SCHEMBL28467462 0.73 HRH3 (0.47) APEX1HPGDHSD17B10MEN1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349885-B2 Indole and indazole derivatives having a cell-, tissue- and organ-preserving effect LG LIFE SCIENCES LTD. (KR) 2013-01-08 — — US disclosed
US-20120270203-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG CHEM, LTD. (KR) 2012-10-25 — — US disclosed
US-20100291533-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG LIFE SCIENCES LTD. (KR) 2010-11-18 — — US disclosed
EP-2230238-A2 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG Life Sciences Ltd. (KR) 2010-09-22 — — 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 (2 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-20120270203-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT IDO1, IDO2, INMT APEX1 1705/4885BRD4 1985/4885ATAD2 3148/4885
US-20100291533-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT IDO1, IDO2, INMT APEX1 1705/4885BRD4 1985/4885ATAD2 3148/4885

“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.

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