SCHEMBL4357784

SCHEMBL4357784

O=C(NC(=S)Nc1cccc(OCc2ccccc2)c1)c1ccc2ccccc2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
RAB9A P51151 3/20 0.61
ALDH1A1 P00352 4/20 0.51
MAPT P10636 4/20 0.51
POLB P06746 2/20 0.51
CYSLTR1 Q9Y271 2/20 0.50
MGAM O43451 1/20 0.50
CYSLTR2 Q9NS75 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NR1H4 Q96RI1 1/20 0.48
NPC1 O15118 2/20 0.47
ALOX12 P18054 1/20 0.47

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
SCHEMBL31295461 0.92 MGAM (0.59) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL2868750 0.88 MEN1 (0.61) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL13956774 0.83 MEN1 (0.66) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL14096289 0.81 MEN1 (0.62) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL13956779 0.81 MEN1 (0.62) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL2861108 0.81 MEN1 (0.66) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL31295610 0.81 MEN1 (0.57) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL2870126 0.80 MEN1 (0.59) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL4361356 0.80 MEN1 (0.59) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL14096287 0.80 MEN1 (0.61) MEN1KMT2ARAB9AALDH1A1MAPT

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.