SCHEMBL4537890

SCHEMBL4537890

Cc1ccnc(OC(C(=O)NO)c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.42
MMP8 P22894 1/20 0.42
HDAC7 Q8WUI4 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
PPARA Q07869 1/20 0.38
PKM P14618 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL4533774 0.82 HDAC7 (0.46) MMP8HDAC7HDAC3HDAC4HDAC1
SCHEMBL4539717 0.80 PKM (0.44) MMP8HDAC7HDAC3HDAC4HDAC1
SCHEMBL4536431 0.78 OPRM1 (0.46) MMP8HDAC7HDAC3HDAC4HDAC1
SCHEMBL4529807 0.74 ALDH1A1 (0.50) MMP8HDAC7HDAC3HDAC4HDAC1
SCHEMBL4541579 0.74 ALDH1A1 (0.47) MMP8HDAC7HDAC3HDAC4HDAC1
SCHEMBL4541539 0.72 MEN1 (0.50) MMP8HDAC7HDAC3HDAC4HDAC1
SCHEMBL2844450 0.72 HDAC7 (0.55) MMP8HDAC7HDAC3HDAC4HDAC1
SCHEMBL4536701 0.72 MMP8 (0.48) MMP8HDAC7HDAC3HDAC4HDAC1
SCHEMBL15992556 0.71 TDP1 (0.47) CRHR1PKMNPC1RAB9AKDM4E
SCHEMBL4529400 0.70 TSHR (0.50) NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2008122115-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-10-16 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-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 CRHR1 2536/4885MMP8 648/4885HDAC7 7/4885

“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.