SCHEMBL4283385

SCHEMBL4283385

NC(=S)Nc1cccc(OCCCCCOc2ccc(Cl)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.46
AR P10275 1/20 0.45
KCNH2 Q12809 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
THRB P10828 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
FAAH O00519 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PRSS1 P07477 4/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL4083630 0.96 EPHX2 (0.43) EPHX2ARKCNH2SIGMAR1THRB
SCHEMBL3974860 0.89 ALDH1A1 (0.51) THRBSIRT2KMT2ANPC1RAB9A
SCHEMBL3978614 0.89 ALDH1A1 (0.51) THRBSIRT2KMT2ANPC1RAB9A
SCHEMBL3977061 0.89 ALDH1A1 (0.51) THRBSIRT2KMT2ANPC1RAB9A
SCHEMBL3973689 0.88 KMT2A (0.48) EPHX2THRBSIRT2FAAHKMT2A
SCHEMBL3973757 0.88 ALDH1A1 (0.53) THRBSIRT2FAAHKMT2ANPC1
SCHEMBL3984003 0.87 ALDH1A1 (0.50) THRBFAAHPRSS1
SCHEMBL4092320 0.87 HPGD (0.53) ARKCNH2SIGMAR1THRBFAAH
SCHEMBL3980364 0.87 MAPT (0.47) THRBSIRT2FAAHKMT2AMEN1
SCHEMBL5053666 0.86 SMN1; SMN2 (0.49) EPHX2CRHBPCRHR2KMT2AMEN1

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 EPHX2 2288/4885AR 4765/4885KCNH2 2435/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 EPHX2 2543/4885AR 4773/4885KCNH2 2286/4885

“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.