SCHEMBL4083630

SCHEMBL4083630

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.43
AR P10275 1/20 0.43
KCNH2 Q12809 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
THRB P10828 1/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
FAAH O00519 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
FABP1 P07148 1/20 0.41
PRSS1 P07477 2/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
CYP1A2 P05177 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL4283385 0.96 EPHX2 (0.46) EPHX2ARKCNH2SIGMAR1SIRT2
SCHEMBL3978599 0.90 FABP1 (0.50) THRBFAAHFABP1PRSS1ALDH1A1
SCHEMBL3978333 0.90 FABP1 (0.50) THRBFAAHFABP1PRSS1ALDH1A1
SCHEMBL3976349 0.90 FABP1 (0.50) THRBFAAHFABP1PRSS1ALDH1A1
SCHEMBL3975905 0.89 FABP1 (0.48) THRBFAAHKMT2AMEN1FABP1
SCHEMBL4979323 0.88 HPGD (0.50) SIGMAR1THRBFAAHKMT2AMEN1
SCHEMBL4079774 0.88 MAPT (0.45) SIRT2THRBFAAHKMT2AMEN1
SCHEMBL3978011 0.88 CYP1A2 (0.50) SIRT2THRBFAAHKMT2AMEN1
SCHEMBL4080746 0.88 SIRT2 (0.41) EPHX2SIRT2CRHBPCRHR2KMT2A
SCHEMBL3975168 0.86 F2 (0.48) THRBFAAHKMT2AMEN1NPC1

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.