SCHEMBL6038005

SCHEMBL6038005

O=C1Nc2ccccc2N[C@@H]1Cc1c[nH]c2ccccc12

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.72
IDO1 P14902 2/20 0.71
CCKBR P32239 3/20 0.55
KMT2A Q03164 3/20 0.53
MAPT P10636 2/20 0.53
TP53 P04637 1/20 0.53
GLA P06280 1/20 0.53
CYP3A4 P08684 1/20 0.53
THRB P10828 1/20 0.53
RIPK1 Q13546 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
TACR2 P21452 6/20 0.51

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
SCHEMBL6038011 1.00 GSK3B (0.72) GSK3BIDO1CCKBRKMT2AMAPT
Benzodiazepinedione SCHEMBL29799531 0.87 IDO1 (0.65) GSK3BIDO1CCKBRKMT2AMAPT
Benzodiazepinedione SCHEMBL10832629 0.87 IDO1 (0.65) GSK3BIDO1CCKBRKMT2AMAPT
Benzodiazepinedione SCHEMBL10968598 0.87 IDO1 (0.65) GSK3BIDO1CCKBRKMT2AMAPT
SCHEMBL17867048 0.87 IDO1 (0.76) GSK3BIDO1KMT2AMAPTTP53
SCHEMBL13399673 0.87 IDO1 (0.76) GSK3BIDO1KMT2AMAPTTP53
SCHEMBL2042419 0.87 IDO1 (0.76) GSK3BIDO1KMT2AMAPTTP53
SCHEMBL14595068 0.87 IDO1 (0.76) GSK3BIDO1KMT2AMAPTTP53
SCHEMBL12809540 0.87 IDO1 (0.76) GSK3BIDO1KMT2AMAPTTP53
SCHEMBL5579406 0.86 IDO1 (0.61) GSK3BIDO1CCKBRKMT2AMAPT

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-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 GSK3B 443/4885IDO1 1132/4885CCKBR 3236/4885

“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.