SCHEMBL4080060

SCHEMBL4080060

COc1ccc(OCCCCCOc2cccc(NC(N)=S)c2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
HPGD P15428 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPKAPK2 P49137 1/20 0.42
PPARA Q07869 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
IDO1 P14902 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL3981844 0.87 MAPT (0.50) MAPTHPGDL3MBTL1NPC1TP53
SCHEMBL14215447 0.87 KMT2A (0.48) MAPTHPGDL3MBTL1MEN1KMT2A
SCHEMBL4977275 0.86 THRB (0.46) MAPTHPGDL3MBTL1NPC1TP53
SCHEMBL4092320 0.86 HPGD (0.53) MAPTHPGDNPC1TP53RAB9A
SCHEMBL3975036 0.85 ADRB2 (0.48) MAPTL3MBTL1TDP1NPSR1NPC1
SCHEMBL4979323 0.83 HPGD (0.50) MAPTHPGDNPC1TP53RAB9A
SCHEMBL3976446 0.82 SMN1; SMN2 (0.44) MAPTL3MBTL1NPC1TP53RAB9A
SCHEMBL4980199 0.82 C5AR1 (0.45) MAPTHPGDL3MBTL1TDP1NPC1
SCHEMBL3980246 0.81 KMT2A (0.42) MAPTHPGDL3MBTL1TDP1SMN1; SMN2
SCHEMBL4283385 0.81 EPHX2 (0.46) CRHBPCRHR2NPC1RAB9AMEN1

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 7 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-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 MAPT 3656/4885HPGD 4484/4885L3MBTL1 822/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 MAPT 3833/4885HPGD 4424/4885L3MBTL1 720/4885

“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.