SCHEMBL4538504

SCHEMBL4538504

COc1cc(OC)cc(C(C(=O)NO)c2ccc(N3CCOCC3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.47
AKR1C3 P42330 1/20 0.47
MAPT P10636 7/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 2/20 0.46
TSHR P16473 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HCRTR1 O43613 1/20 0.43
PKM P14618 1/20 0.43
NPC1 O15118 1/20 0.43
FGFR2 P21802 1/20 0.43
FGFR3 P22607 1/20 0.43

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
SCHEMBL2843825 0.90 MMP2 (0.48) HIF1AAKR1C3MAPTKDM4EALDH1A1
SCHEMBL2840180 0.82 NPC1 (0.54) AKR1C3MAPTKDM4EALDH1A1RAB9A
SCHEMBL2841246 0.81 HDAC8 (0.60) AKR1C3MAPTALDH1A1RAB9ATSHR
SCHEMBL2842604 0.80 MAPT (0.56) HIF1AAKR1C3MAPTKDM4EALDH1A1
SCHEMBL4541618 0.80 MAPT (0.54) HIF1AMAPTALDH1A1HTTRAB9A
SCHEMBL2840930 0.80 HDAC8 (0.64) AKR1C3MAPTKDM4EALDH1A1MEN1
SCHEMBL2843919 0.79 MAPK1 (0.56) MAPTALDH1A1MEN1KMT2A
SCHEMBL2841750 0.79 MAPT (0.48) MAPTALDH1A1RAB9ATSHRKMT2A
SCHEMBL4537852 0.78 PRKDC (0.46) MAPTKMT2A
SCHEMBL2843895 0.78 HDAC3 (0.55) MAPTALDH1A1RAB9AMEN1KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 EP claimed
EP-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 EP disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 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-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 HIF1A 918/4885AKR1C3 911/4885MAPT 1533/4885

“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.