Sugi Predict

Sugi Predict / Compounds / SCHEMBL4884293

SCHEMBL4884293

SCHEMBL4884293

COC(=O)c1ccc(C=C(Br)Br)c(N)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.57
▸ ALDH1A1 P00352 9/20 0.57
▸ MAPT P10636 9/20 0.57
▸ HPGD P15428 7/20 0.57
▸ GAA P10253 4/20 0.57
▸ HSD17B10 Q99714 4/20 0.57
▸ GLA P06280 1/20 0.57
▸ CASP1 P29466 1/20 0.57
▸ CASP7 P55210 1/20 0.57
▸ ATM Q13315 1/20 0.57
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ USP2 O75604 1/20 0.49
▸ LMNA P02545 3/20 0.46
▸ ALOX15 P16050 3/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ PKM P14618 1/20 0.46

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
SCHEMBL14269552 0.89 KDM4E (0.59) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL536876 0.88 KDM4E (0.53) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL12381818 0.83 KDM4E (0.64) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL25224061 0.83 CA1 (0.59) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL1632492 0.82 ALDH1A1 (0.62) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL25260865 0.81 CA1 (0.45) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL22899167 0.81 KDM4E (0.60) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL13306359 0.81 KDM4E (0.60) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL30474792 0.79 CA1 (0.59) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL5326250 0.79 CA1 (0.59) KDM4EALDH1A1MAPTHPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 — — US disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 — — US disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 — — US disclosed
WO-2007134421-A1 2-VINYL INDOLES, PYRIDO AND AZEPINO INDOLE DERIVATIVES, 2-ALKYNYL INDOLES, 2-ALKYNYL BENZO[b]FURANS, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2007-11-29 — — WO disclosed
WO-2007134421-A1 2-VINYL INDOLES, PYRIDO AND AZEPINO INDOLE DERIVATIVES, 2-ALKYNYL INDOLES, 2-ALKYNYL BENZO[b]FURANS, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2007-11-29 — — WO disclosed
EP-1817283-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF Lautens, Mark (CA) 2007-08-15 — — EP disclosed
WO-2006047888-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2006-05-11 — — WO 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-20080039625-A1 Screening Methods CBR3, ZKSCAN2, CRBN KDM4E 3829/4885ALDH1A1 2175/4885MAPT 4661/4885

“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.