SCHEMBL5904040

SCHEMBL5904040

O=C(O)c1ccc(-c2cccc(OCc3ccccc3)c2)s1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.78
HPGDS O60760 1/20 0.59
MEN1 O00255 1/20 0.57
POLB P06746 1/20 0.57
RAB9A P51151 1/20 0.57
KMT2A Q03164 1/20 0.57
MRGPRX4 Q96LA9 2/20 0.56
HSD17B2 P37059 5/20 0.56
F9 P00740 1/20 0.52
F10 P00742 1/20 0.52
PTPN1 P18031 1/20 0.52
HSD17B1 P14061 3/20 0.50
NR1H4 Q96RI1 1/20 0.50
MAOB P27338 1/20 0.50
SRD5A2 P31213 1/20 0.50
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL5903692 0.89 HDAC1 (0.63) NR4A2HPGDSRAB9AMRGPRX4HSD17B2
SCHEMBL6029886 0.88 NR4A2 (1.00) NR4A2HPGDSMEN1POLBRAB9A
SCHEMBL5903704 0.86 NR4A2 (0.58) NR4A2MEN1RAB9AKMT2AMRGPRX4
SCHEMBL22915 0.85 HSD17B1 (0.72) NR4A2HSD17B2HSD17B1
SCHEMBL6267992 0.84 HPGDS (0.58) NR4A2HPGDSMEN1POLBRAB9A
SCHEMBL27981521 0.84 HPGDS (0.58) NR4A2HPGDSMEN1POLBRAB9A
SCHEMBL2247416 0.79 HDAC6 (0.72) HPGDSMEN1POLBRAB9AKMT2A
SCHEMBL1331833 0.78 NR4A2 (0.81) NR4A2MEN1POLBRAB9AKMT2A
SCHEMBL1761545 0.78 RAB9A (0.92) NR4A2HPGDSMEN1POLBRAB9A
SCHEMBL5844471 0.77 HPGDS (0.60) NR4A2HPGDSMEN1POLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060122234-A1 Substituted thienyl-hydroxamic acids as histone deacetylase inhibitors ARGENTA DISCOVERY LIMITED 2006-06-08 US disclosed
CN-1684957-A Substituted thienyl-hydroxamic acids as histone deacetylase inhibitors ARGENTA DISCOVERY LTD (GB) 2005-10-19 CN disclosed
EP-1525199-A1 SUBSTITUTED THIENYL-HYDROXAMIC ACIDS AS HISTONE DEACETYLASE INHIBITORS Argenta Discovery Limited (GB) 2005-04-27 EP disclosed
WO-2004013130-A1 SUBSTITUTED THIENYL-HYDROXAMIC ACIDS AS HISTONE DEACETYLASE INHIBITORS ARGENTA DISCOVERY LIMITED (GB) 2004-02-12 WO disclosed
WO-2004013130-A1 SUBSTITUTED THIENYL-HYDROXAMIC ACIDS AS HISTONE DEACETYLASE INHIBITORS ARGENTA DISCOVERY LIMITED (GB) 2004-02-12 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-20060122234-A1 Substituted thienyl-hydroxamic acids as histone deacetylase inhibitors HDAC1, HDAC11, HDAC2 NR4A2 918/4885HPGDS 489/4885MEN1 3410/4885

“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.