SCHEMBL6749872

SCHEMBL6749872

COc1ccc(-c2cc(Cl)nc(N)n2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 7/20 0.61
HSP90AB1 P08238 7/20 0.61
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MAPT P10636 3/20 0.56
KDM4E B2RXH2 5/20 0.54
MAOB P27338 1/20 0.52
HSD17B10 Q99714 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
TSHR P16473 2/20 0.50
USP2 O75604 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
ATM Q13315 1/20 0.50
AGTR1 P30556 1/20 0.49
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ACACA Q13085 1/20 0.47

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
SCHEMBL14413324 0.89 HSP90AA1 (0.62) HSP90AA1HSP90AB1MEN1KMT2AL3MBTL1
SCHEMBL5320378 0.87 HSP90AA1 (0.57) HSP90AA1HSP90AB1MEN1KMT2AL3MBTL1
SCHEMBL5321619 0.87 HSP90AA1 (0.51) HSP90AA1HSP90AB1MEN1KMT2AL3MBTL1
SCHEMBL1388381 0.84 DYRK1A (0.66) MEN1KMT2AL3MBTL1MAPTKDM4E
SCHEMBL2175274 0.84 MEN1 (0.72) MEN1KMT2AL3MBTL1MAPTKDM4E
SCHEMBL14413318 0.83 HDAC1 (0.48) HSP90AA1HSP90AB1MEN1KMT2AMAPT
SCHEMBL10686590 0.83 MEN1 (0.57) MEN1KMT2AL3MBTL1MAPTKDM4E
SCHEMBL4502579 0.83 KDM4E (0.68) MEN1KMT2AL3MBTL1MAPTKDM4E
SCHEMBL14413004 0.81 DHFR (0.49) HSP90AA1HSP90AB1KDM4EMAOB
SCHEMBL1644753 0.81 DYRK1A (0.71) HSP90AA1HSP90AB1MAPTKDM4EALDH1A1

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
WO-2007098835-A1 AMINO PYRYMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2007-09-07 WO disclosed
US-20040072770-A1 Methods for specifically inhibiting histone deacetylase-7 and 8 METHYLGENE, INC. (CA) 2004-04-15 US disclosed
WO-2004005513-A2 METHODS FOR SPECIFICALLY INHIBITING HISTONE DEACETYLASE-7 AND 8 METHYLGENE, INC. (CA) 2004-01-15 WO disclosed
WO-2004005513-A2 METHODS FOR SPECIFICALLY INHIBITING HISTONE DEACETYLASE-7 AND 8 METHYLGENE, INC. (CA) 2004-01-15 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-20040072770-A1 Methods for specifically inhibiting histone deacetylase-7 and 8 HDAC8, HDAC7, HDAC1 HSP90AA1 318/4885HSP90AB1 274/4885MEN1 4038/4885

“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.