SCHEMBL3973689

SCHEMBL3973689

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MAPT P10636 1/20 0.48
NPC1 O15118 1/20 0.48
THRB P10828 1/20 0.46
FAAH O00519 1/20 0.45
EPHX2 P34913 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
PRSS1 P07477 2/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 1/20 0.44
AHR P35869 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL3977061 0.90 ALDH1A1 (0.51) KMT2ANPC1THRBSIRT2PRSS1
SCHEMBL3974860 0.90 ALDH1A1 (0.51) KMT2ANPC1THRBSIRT2PRSS1
SCHEMBL3978614 0.90 ALDH1A1 (0.51) KMT2ANPC1THRBSIRT2PRSS1
SCHEMBL3973757 0.89 ALDH1A1 (0.53) KMT2ANPC1THRBFAAHSIRT2
SCHEMBL3980364 0.88 MAPT (0.47) KMT2AMAPTNPC1THRBFAAH
SCHEMBL4283385 0.88 EPHX2 (0.46) KMT2ANPC1THRBFAAHEPHX2
SCHEMBL3984003 0.88 ALDH1A1 (0.50) THRBFAAHPRSS1SMN1; SMN2
SCHEMBL4092320 0.88 HPGD (0.53) KMT2AMAPTNPC1THRBFAAH
SCHEMBL3977748 0.87 ALDH1A1 (0.52) MAPTTHRBFAAHEPHX2SIRT2
SCHEMBL3976349 0.87 FABP1 (0.50) THRBFAAHPRSS1SMN1; SMN2

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 KMT2A 1846/4885MAPT 3656/4885NPC1 1677/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 KMT2A 2203/4885MAPT 3833/4885NPC1 1372/4885

“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.