SCHEMBL5877068

SCHEMBL5877068

COc1ccc(C2(c3ccccc3)C=Cc3c(N)n[nH]c3C2)cc1OC

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAOA P21397 1/20 0.34
BACE1 P56817 3/20 0.34
LMNA P02545 2/20 0.33
PDE4B Q07343 2/20 0.33
SLC6A4 P31645 1/20 0.33
ACHE P22303 1/20 0.33
HSD17B10 Q99714 2/20 0.33
CTSD P07339 2/20 0.32
BACE2 Q9Y5Z0 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL5877893 0.91 ACHE (0.35) KDM4EALDH1A1LMNAACHEMEN1
SCHEMBL5876731 0.86 BACE1 (0.39) KDM4EBACE1ACHECTSDBACE2
SCHEMBL6805518 0.86 PDGFRB (0.39) BACE1PDE4BSLC6A4ACHEKMT2A
SCHEMBL5876380 0.86 BACE1 (0.40) BACE1BACE2
SCHEMBL5876464 0.85 MAP4K4 (0.33) KDM4EBACE1HSD17B10KMT2A
SCHEMBL12893237 0.83 LDHA (0.34) ALDH1A1LMNAPDE4BSLC6A4MEN1
SCHEMBL5877415 0.83
SCHEMBL6795537 0.83 PDE4A (0.35) KDM4EALDH1A1PDE4BKMT2APDE4A
SCHEMBL5877011 0.83 NTRK1 (0.37) KDM4EALDH1A1LMNAPDE4BMEN1
SCHEMBL5877777 0.82 KDM1A (0.39) ALDH1A1BACE1CTSDBACE2

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-7119115-B2 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology AVENTIS PHARMA S.A. (FR) 2006-10-10 US disclosed
US-20040162276-A1 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology AVENTIS PHARMA S.A. (FR) 2004-08-19 US disclosed
EP-1414805-A1 INDAZOLE OR INDOLE DERIVATIVES, THEIR USE IN HUMAN MEDICINE AND MORE PARTICULARLY IN CANCEROLOGY Aventis Pharma S.A. (FR) 2004-05-06 EP disclosed
WO-2003011833-A1 INDAZOLE OR INDOLE DERIVATIVES, THEIR USE IN HUMAN MEDICINE AND MORE PARTICULARLY IN CANCEROLOGY AVENTIS PHARMA S.A. (FR) 2003-02-13 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-20040162276-A1 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology IDO1, IDO2, INMT KDM4E 3189/4885ALDH1A1 166/4885MAOA 196/4885

“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.