SCHEMBL3980246

SCHEMBL3980246

NC(=S)Nc1cccc(OCCCCCOc2ccc(Cl)c3ccccc23)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
KCNA3 P22001 1/20 0.41
ALDH1A1 P00352 4/20 0.40
SIRT2 Q8IXJ6 3/20 0.40
ESRRA P11474 3/20 0.39
GPR84 Q9NQS5 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PRSS1 P07477 2/20 0.38

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
SCHEMBL3976446 0.88 SMN1; SMN2 (0.44) KMT2AKCNA3ALDH1A1MEN1MAPT
SCHEMBL3976807 0.86 KCNA3 (0.58) KMT2AKCNA3PRSS1
SCHEMBL3979122 0.86 KCNA3 (0.58) KMT2AKCNA3PRSS1
SCHEMBL3977807 0.86 KCNA3 (0.58) KMT2AKCNA3PRSS1
SCHEMBL4092922 0.86 KCNA3 (0.58) KMT2AKCNA3PRSS1
SCHEMBL3982995 0.85 KCNA3 (0.59) KMT2AKCNA3ALDH1A1MEN1LMNA
SCHEMBL14215447 0.83 KMT2A (0.48) KMT2AALDH1A1SIRT2MEN1MAPT
SCHEMBL3983095 0.82 KCNA3 (0.56) KMT2AKCNA3ALDH1A1MEN1LMNA
SCHEMBL3974860 0.82 ALDH1A1 (0.51) KMT2AKCNA3ALDH1A1SIRT2LMNA
SCHEMBL3977061 0.82 ALDH1A1 (0.51) KMT2AKCNA3ALDH1A1SIRT2LMNA

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 1846/4885KCNA3 3192/4885ALDH1A1 820/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 KMT2A 2203/4885KCNA3 3151/4885ALDH1A1 500/4885

“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.