Sugi Predict

Sugi Predict / Compounds / SCHEMBL3415905

SCHEMBL3415905

SCHEMBL3415905

O=[N+]([O-])c1cc(CN2CCS(=O)(=O)CC2)cc2c(Br)c(-c3ccccc3)[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MAPK1 P28482 3/20 0.34
▸ FBP1 P09467 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL27808518 0.88 SIGMAR1 (0.41) POLBMEN1KMT2AMAPK1FBP1
SCHEMBL3000240 0.87 ALDH1A1 (0.42) LMNAPOLBMEN1KMT2AL3MBTL1
SCHEMBL3005212 0.82 GRM5 (0.36) POLBKMT2AFBP1
SCHEMBL2999222 0.79 DHODH (0.39) DHODHLMNAPOLBMEN1KMT2A
SCHEMBL27944049 0.78 FBP1 (0.42) POLBMEN1KMT2AFBP1BLM
SCHEMBL3001964 0.77 GAA (0.35) DHODHLMNAKMT2AMAPK1FAAH
SCHEMBL29936464 0.77 PARP14 (0.37) DHODHMAPK1FAAHRAB9AMAPT
SCHEMBL3012797 0.77 PARP14 (0.37) DHODHMAPK1FAAHRAB9AMAPT
SCHEMBL3008125 0.76 CSF1R (0.38) DHODHPOLBMAPTKDM4EALDH1A1
SCHEMBL3005170 0.71 MAPT (0.45) LMNAMEN1KMT2AMAPK1FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2230238-B1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG LIFE SCIENCES LTD (KR) 2013-12-11 — — EP disclosed
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 DHODH 2870/4885LMNA 1945/4885POLB 4659/4885
US-20100291533-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT IDO1, IDO2, INMT DHODH 2870/4885LMNA 1945/4885POLB 4659/4885

“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.