SCHEMBL4375332

SCHEMBL4375332

O=C(NC(=S)Nc1cccc(OCc2ccccc2)c1)C1Cc2ccccc2O1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
RAB9A P51151 1/20 0.53
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
F10 P00742 3/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 2/20 0.44
MAPT P10636 1/20 0.44
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
NR1H4 Q96RI1 1/20 0.44

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
SCHEMBL4363918 0.91 MEN1 (0.52) MEN1KMT2ARAB9ANFKB1NFKB2
SCHEMBL14136972 0.90 MEN1 (0.49) MEN1KMT2ARAB9ANFKB1NFKB2
SCHEMBL14136971 0.89 MEN1 (0.54) MEN1KMT2ARAB9ANFKB1NFKB2
SCHEMBL4366796 0.87 NPC1 (0.58) MEN1KMT2ARAB9AF10HTT
SCHEMBL4363934 0.87 NPC1 (0.58) MEN1KMT2ARAB9AF10HTT
SCHEMBL14136894 0.87 MEN1 (0.49) MEN1KMT2ARAB9AF10ALDH1A1
SCHEMBL14136964 0.82 NFKB1 (0.53) MEN1KMT2ARAB9ANFKB1NFKB2
SCHEMBL4375329 0.80 PDK1 (0.43) MEN1KMT2ARAB9ANFKB1NFKB2
SCHEMBL3635094 0.80 MEN1 (0.54) MEN1KMT2ARAB9AF10ALDH1A1
SCHEMBL4375334 0.79 HDAC3 (0.41) NFKB1NFKB2RELAL3MBTL1

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-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-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 US disclosed
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 MEN1 4762/4885KMT2A 1703/4885RAB9A 2273/4885

“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.