SCHEMBL4375334

SCHEMBL4375334

O=C(NC(=O)N(S)c1cccc(OCc2ccccc2)c1)C1Cc2ccccc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
HIF1A Q16665 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
NR4A2 P43354 1/20 0.38
SMPD1 P17405 1/20 0.38
PTGES O14684 1/20 0.38
MAOB P27338 2/20 0.37
ADAM17 P78536 3/20 0.37

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
SCHEMBL4363923 0.92 HTR6 (0.41) HDAC3HDAC1HDAC2NR4A2SMPD1
SCHEMBL4375332 0.79 MEN1 (0.53) NFKB1NFKB2RELAL3MBTL1
SCHEMBL4358804 0.75 GPR34 (0.47) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL14136971 0.73 MEN1 (0.54) NFKB1NFKB2RELA
SCHEMBL4363918 0.72 MEN1 (0.52) HDAC3HDAC1HDAC2NFKB1NFKB2
SCHEMBL3982953 0.71 NPC1 (0.54) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL4357787 0.70 CYSLTR1 (0.46) SMPD1
SCHEMBL4375329 0.70 PDK1 (0.43) NFKB1NFKB2RELAFAAH
SCHEMBL7112237 0.70 HIF1A (0.54) HIF1ANFKB1NFKB2RELAMAOB
SCHEMBL14136972 0.70 MEN1 (0.49) NFKB1NFKB2RELAL3MBTL1GLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 US claimed
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 US disclosed
US-7094807-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2006-08-22 US disclosed
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication CHEN DAWEI 2006-01-19 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-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 HDAC3 627/4885HDAC1 216/4885HDAC2 541/4885

“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.