SCHEMBL4360388

SCHEMBL4360388

O=C(Nc1cccc(Oc2ccccc2)c1)N(S)C(=O)c1cc2ccccc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.50
NPC1 O15118 11/20 0.50
TP53 P04637 8/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 4/20 0.50
TSHR P16473 4/20 0.50
PKM P14618 3/20 0.50
LMNA P02545 3/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
HPGD P15428 2/20 0.49
MAPK1 P28482 3/20 0.47
NLRP3 Q96P20 1/20 0.47
ALPG P10696 1/20 0.47
F13A1 P00488 1/20 0.46
TGM2 P21980 1/20 0.46
ALDH1A1 P00352 3/20 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
SCHEMBL4361554 0.89 SIRT2 (0.49) RAB9ANPC1TP53SMN1; SMN2MEN1
SCHEMBL2941580 0.88 RAB9A (0.44) RAB9ANPC1TP53SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL2910330 0.87 RAB9A (0.43) RAB9ANPC1TP53SMN1; SMN2MEN1
SCHEMBL4363710 0.82 NPC1 (0.46) RAB9ANPC1TP53SMN1; SMN2MEN1
SCHEMBL4358714 0.82 RAB9A (0.46) RAB9ANPC1TP53SMN1; SMN2MEN1
SCHEMBL4543536 0.82 SIRT2 (0.48) RAB9ANPC1TP53SMN1; SMN2MEN1
SCHEMBL2914956 0.80 MAPT (0.43) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2910244 0.79 NPY5R (0.44) RAB9ANPC1TP53SMN1; SMN2MEN1
SCHEMBL4360387 0.78 NPC1 (0.67) RAB9ANPC1TP53SMN1; SMN2MEN1
SCHEMBL4540505 0.78 LTA4H (0.48) RAB9ANPC1TP53SMN1; SMN2MEN1

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 3 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 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 RAB9A 2273/4885NPC1 151/4885TP53 1070/4885

“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.