SCHEMBL3978152

SCHEMBL3978152

NC(=S)Nc1cccc(OCCCCCOc2cccc(Nc3ccccc3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.48
ALDH1A1 P00352 3/20 0.47
TP53 P04637 1/20 0.47
TYR P14679 1/20 0.47
TSHR P16473 1/20 0.47
TAS2R38 P59533 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45
PRSS1 P07477 6/20 0.44
CYP1A2 P05177 1/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
THRB P10828 1/20 0.43
NR1H4 Q96RI1 2/20 0.43
FAAH O00519 1/20 0.43
F2 P00734 1/20 0.43
PLG P00747 1/20 0.43

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 0.93 ALDH1A1 (0.51) SIRT2ALDH1A1TP53TYRTSHR
SCHEMBL3978614 0.93 ALDH1A1 (0.51) SIRT2ALDH1A1TP53TYRTSHR
SCHEMBL3974860 0.93 ALDH1A1 (0.51) SIRT2ALDH1A1TP53TYRTSHR
SCHEMBL3973757 0.92 ALDH1A1 (0.53) SIRT2ALDH1A1TP53TYRTSHR
SCHEMBL3977087 0.89 PRSS1 (0.54) SIRT2ALDH1A1TP53TYRTSHR
SCHEMBL4086569 0.88 KDM4E (0.49) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL3976068 0.88 HDAC1 (0.50) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL3984003 0.88 ALDH1A1 (0.50) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL3975811 0.87 SIRT2 (0.55) SIRT2ALDH1A1TP53TYRTSHR
SCHEMBL3976349 0.87 FABP1 (0.50) ALDH1A1TP53TYRTSHRTAS2R38

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198284-B2 Treatment of neurodegenerative disorders with thiourea compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2012-06-12 US disclosed
US-8198284-B2 Treatment of neurodegenerative disorders with thiourea compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2012-06-12 US disclosed
US-8198284-B2 Treatment of neurodegenerative disorders with thiourea compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2012-06-12 US disclosed
US-20090275596-A1 Treatment of Neurodegenerative Disorders with Thiourea Compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-11-05 US disclosed
US-20090275596-A1 Treatment of Neurodegenerative Disorders with Thiourea Compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-11-05 US disclosed
US-20090275596-A1 Treatment of Neurodegenerative Disorders with Thiourea Compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-11-05 US disclosed
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 (3 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-20090275596-A1 Treatment of Neurodegenerative Disorders with Thiourea Compounds CLN6, MSR1, TPMT SIRT2 3008/4885ALDH1A1 1958/4885TP53 4381/4885
US-20080096875-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, ETV6 SIRT2 3582/4885ALDH1A1 820/4885TP53 1137/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 SIRT2 3921/4885ALDH1A1 500/4885TP53 1194/4885

“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.