SCHEMBL2969659

SCHEMBL2969659

COc1cc2c(cc1OC)CN(c1ccc(C(=O)O)cn1)CC2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
NMT1 P30419 1/20 0.52
MEN1 O00255 3/20 0.50
MAPT P10636 3/20 0.50
MAPK1 P28482 2/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 2/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
POLB P06746 1/20 0.48
AKR1C3 P42330 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAOB P27338 3/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
NPC1 O15118 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
SCHEMBL2972419 0.89 NMT1 (0.54) KMT2ANMT1MEN1MAPTMAPK1
SCHEMBL2963925 0.87 HDAC6 (0.54) KMT2ANMT1MEN1MAPTMAPK1
SCHEMBL3788318 0.81 NMT1 (0.49) KMT2ANMT1MAPTGAATP53
SCHEMBL3787443 0.81 KMT2A (0.48) KMT2ANMT1MEN1MAPTMAPK1
SCHEMBL3791335 0.80 NMT1 (0.48) KMT2ANMT1MEN1MAPTLMNA
SCHEMBL3790274 0.79 RAB9A (0.48) KMT2ANMT1MEN1MAPTMAPK1
SCHEMBL3785591 0.79 MAP3K5 (0.51) KMT2ANMT1MEN1POLB
SCHEMBL6373120 0.78 MAOB (0.62) KMT2AMEN1MAPTMAPK1LMNA
SCHEMBL2978207 0.74 HDAC6 (0.70) KMT2AMEN1MAPTMAPK1LMNA
SCHEMBL5968393 0.73 NPC1 (0.64) KMT2AMEN1MAPTGAAAKR1C3

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-7772245-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
EP-1851219-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE Miikana Therapeutics, Inc. (US) 2007-11-07 EP disclosed
US-20060199829-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. 2006-09-07 US disclosed
WO-2006088949-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2006-08-24 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-20060199829-A1 Inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 KMT2A 82/4885NMT1 2125/4885MEN1 3925/4885

“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.