SCHEMBL5583458

SCHEMBL5583458

COc1ccc(NCc2ccc3sc(C(=O)O)cc3c2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.55
DHFR P00374 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NAMPT P43490 1/20 0.47
HDAC2 Q92769 3/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
HIF1A Q16665 2/20 0.45
POLB P06746 1/20 0.45
EPAS1 Q99814 1/20 0.45
TBXAS1 P24557 1/20 0.45

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
SCHEMBL3560308 0.84 HDAC1 (0.55) HDAC1DHFRALDH1A1MAPTKDM4E
SCHEMBL2733855 0.81 HDAC1 (0.68) HDAC1NAMPTHDAC2
SCHEMBL3975276 0.80 LMNA (0.64) HDAC1ALDH1A1MAPTKDM4ETDP1
SCHEMBL1081112 0.77 TUBB4A (0.53) HDAC1DHFRALDH1A1MAPTKDM4E
SCHEMBL1064897 0.76 NR1H4 (0.67) HDAC1ALDH1A1MAPTKDM4EGAA
SCHEMBL3560484 0.76 LMNA (0.56) HDAC1DHFRALDH1A1MAPTKDM4E
SCHEMBL1064412 0.74 L3MBTL1 (0.53) HDAC1DHFRALDH1A1MAPTKDM4E
SCHEMBL21697974 0.74 L3MBTL1 (0.53) HDAC1DHFRALDH1A1MAPTKDM4E
SCHEMBL10374158 0.73 CA2 (0.56) HDAC1CA2TBXAS1
SCHEMBL1888929 0.73 HDAC1 (0.69) HDAC1ALDH1A1KDM4ETDP1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 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 (2 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885DHFR 460/4885ALDH1A1 680/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885DHFR 386/4885ALDH1A1 758/4885

“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.