SCHEMBL4534563

SCHEMBL4534563

CCCOc1ccc(OC(C(=O)NO)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 3/20 0.53
SMN1; SMN2 Q16637 5/20 0.50
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MMP3 P08254 1/20 0.46
MMP8 P22894 1/20 0.46
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
LMNA P02545 2/20 0.45
MITF O75030 1/20 0.45
NLRP1 Q9C000 1/20 0.45
PLK1 P53350 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL8112833 0.84 SMN1; SMN2 (0.44) GPR88SMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL2844450 0.82 HDAC7 (0.55) ALDH1A1KMT2AMMP8HPGD
SCHEMBL4529658 0.82 FFAR1 (0.47) ALDH1A1KMT2AMMP8HPGD
SCHEMBL4538126 0.81 KLK7 (0.53) GPR88ALDH1A1KMT2ANPSR1MMP3
SCHEMBL4536194 0.80 HDAC1 (0.46) KMT2AMMP8RAB9ANPC1HPGD
SCHEMBL2844443 0.80 CYP1A2 (0.50) ALDH1A1MMP3
SCHEMBL4541582 0.79 HDAC4 (0.49) SMN1; SMN2ALDH1A1KMT2ANPSR1MAPT
SCHEMBL4534419 0.79 HDAC4 (0.49) KMT2A
SCHEMBL4532941 0.78 GCGR (0.52) SMN1; SMN2KMT2ANPSR1MMP8MAPT
SCHEMBL8120294 0.78 HDAC10 (0.60) GPR88SMN1; SMN2ALDH1A1KMT2ANPSR1

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 6 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

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 GPR88 3610/4885SMN1; SMN2 3638/4885ALDH1A1 532/4885

“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.