SCHEMBL4079774

SCHEMBL4079774

NC(=S)Nc1cccc(OCCCCCOc2ccc(-c3ccc(Br)cc3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.43
THRB P10828 1/20 0.43
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FAAH O00519 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
FABP1 P07148 1/20 0.41
PRSS1 P07477 4/20 0.41
CYP1A2 P05177 1/20 0.40
NR1H4 Q96RI1 1/20 0.40

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
SCHEMBL3980364 0.96 MAPT (0.47) MAPTSIRT2THRBLMNAGAA
SCHEMBL3976349 0.90 FABP1 (0.50) THRBLMNAFAAHFABP1PRSS1
SCHEMBL3978599 0.90 FABP1 (0.50) THRBLMNAFAAHFABP1PRSS1
SCHEMBL3978333 0.90 FABP1 (0.50) THRBLMNAFAAHFABP1PRSS1
SCHEMBL3975905 0.89 FABP1 (0.48) THRBLMNAFAAHKMT2AMEN1
SCHEMBL4979323 0.88 HPGD (0.50) MAPTTHRBLMNAFAAHKMT2A
SCHEMBL3978011 0.88 CYP1A2 (0.50) MAPTSIRT2THRBFAAHKMT2A
SCHEMBL4083630 0.88 EPHX2 (0.43) SIRT2THRBFAAHKMT2AMEN1
SCHEMBL3975168 0.86 F2 (0.48) THRBLMNAFAAHKMT2AMEN1
SCHEMBL3974860 0.86 ALDH1A1 (0.51) SIRT2THRBLMNAKMT2APRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2056810-A2 THIOUREA COMPOUNDS National Health Research Institutes (TW) 2009-05-13 EP disclosed
US-20080113975-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-05-15 US disclosed
US-20080113975-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-05-15 US disclosed
US-20080113975-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-05-15 US disclosed
US-20080096875-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-04-24 US disclosed
US-20080096875-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-04-24 US disclosed
US-20080096875-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-04-24 US disclosed
WO-2008022204-A2 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-02-21 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 (2 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-20080096875-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, ETV6 MAPT 3656/4885SIRT2 3582/4885THRB 950/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 MAPT 3833/4885SIRT2 3921/4885THRB 1151/4885

“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.