SCHEMBL5877777

SCHEMBL5877777

COc1cccc(C2(c3cccc(OC)c3)C=Cc3c(N)n[nH]c3C2)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.39
SHMT1 P34896 1/20 0.39
KCNH2 Q12809 2/20 0.38
OPRD1 P41143 1/20 0.38
GAA P10253 1/20 0.38
BACE1 P56817 6/20 0.37
BACE2 Q9Y5Z0 2/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
CTSD P07339 1/20 0.35
CTSE P14091 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
NOTUM Q6P988 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 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
SCHEMBL5876380 0.97 BACE1 (0.40) KDM1ASHMT1KCNH2OPRD1GAA
SCHEMBL5876731 0.86 BACE1 (0.39) KCNH2OPRD1GAABACE1BACE2
SCHEMBL5878004 0.85 GAA (0.37) GAABACE1BACE2ALDH1A1
SCHEMBL5876734 0.83 SHMT1 (0.39) KDM1ASHMT1KCNH2OPRD1GAA
SCHEMBL6806636 0.83 GAA (0.46) KDM1AOPRD1GAABACE1BACE2
SCHEMBL6801220 0.82 GAA (0.45) KDM1AOPRD1GAABACE1BACE2
SCHEMBL5877068 0.82 KDM4E (0.37) BACE1BACE2CTSDALDH1A1
SCHEMBL5878062 0.81 KDM1A (0.36) KDM1AGAABACE1NOTUM
SCHEMBL5876549 0.81 SMN1; SMN2 (0.41) GAAALDH1A1
SCHEMBL6801110 0.81 GAA (0.41) KCNH2GAABACE1BACE2CTSD

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 2 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

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 KDM1A 1958/4885SHMT1 361/4885KCNH2 2630/4885

“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.