SCHEMBL4086824

SCHEMBL4086824

NC(=S)Nc1cccc(OCCCCCOc2ccccc2-c2ccc(F)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 6/20 0.45
CTNNB1 P35222 6/20 0.45
MAPT P10636 2/20 0.42
SIRT2 Q8IXJ6 2/20 0.41
F10 P00742 2/20 0.41
LMNA P02545 2/20 0.40
EPHX2 P34913 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FABP1 P07148 1/20 0.39

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
SCHEMBL4979385 0.93 MAPT (0.40) BCL9CTNNB1MAPTSIRT2F10
SCHEMBL4267800 0.92 LMNA (0.48) LMNASMN1; SMN2FABP1
SCHEMBL3974845 0.91 LMNA (0.49) LMNASMN1; SMN2
SCHEMBL14215452 0.90 F10 (0.41) BCL9CTNNB1SIRT2F10LMNA
SCHEMBL4084588 0.90 CYP1A2 (0.45) MAPTSIRT2LMNASMN1; SMN2FABP1
SCHEMBL4080746 0.90 SIRT2 (0.41) MAPTSIRT2LMNAEPHX2FABP1
SCHEMBL3984312 0.89 KIF11 (0.46) MAPTSIRT2F10LMNAEPHX2
SCHEMBL4980199 0.89 C5AR1 (0.45) MAPTLMNASMN1; SMN2
SCHEMBL3980256 0.89 LMNA (0.49) LMNASMN1; SMN2
SCHEMBL3973689 0.86 KMT2A (0.48) MAPTSIRT2EPHX2SMN1; 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 BCL9 436/4885CTNNB1 3832/4885MAPT 3656/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 BCL9 517/4885CTNNB1 3848/4885MAPT 3833/4885

“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.