SCHEMBL4979385

SCHEMBL4979385

NC(=S)Nc1cccc(OCCCCCOc2ccccc2-c2cc(F)cc(F)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
F10 P00742 1/20 0.40
SIRT2 Q8IXJ6 2/20 0.39
BCL9 O00512 1/20 0.38
CTNNB1 P35222 1/20 0.38
KMT2A Q03164 1/20 0.38
PRSS1 P07477 3/20 0.38
LMNA P02545 2/20 0.38
EPHX2 P34913 2/20 0.37
THRB P10828 1/20 0.37
CYP1A2 P05177 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FAAH O00519 1/20 0.37

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
SCHEMBL4086824 0.93 BCL9 (0.45) MAPTF10SIRT2BCL9CTNNB1
SCHEMBL4267800 0.90 LMNA (0.48) KMT2ALMNASMN1; SMN2
SCHEMBL3974845 0.89 LMNA (0.49) KMT2ALMNASMN1; SMN2
SCHEMBL3980256 0.86 LMNA (0.49) KMT2APRSS1LMNASMN1; SMN2
SCHEMBL14215452 0.86 F10 (0.41) F10SIRT2BCL9CTNNB1KMT2A
SCHEMBL4084588 0.86 CYP1A2 (0.45) MAPTSIRT2LMNATHRBCYP1A2
SCHEMBL4080746 0.86 SIRT2 (0.41) MAPTSIRT2KMT2APRSS1LMNA
SCHEMBL3984312 0.85 KIF11 (0.46) MAPTF10SIRT2LMNAEPHX2
SCHEMBL4980199 0.85 C5AR1 (0.45) MAPTKMT2ALMNATHRBCYP1A2
SCHEMBL4980619 0.85 CYP1A2 (0.50) MAPTSIRT2KMT2ALMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 3656/4885F10 2148/4885SIRT2 3582/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 MAPT 3833/4885F10 2033/4885SIRT2 3921/4885

“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.