SCHEMBL3979665

SCHEMBL3979665

NC(=S)Nc1cccc(OCCCCCCCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.55
NR1H4 Q96RI1 2/20 0.53
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
TYR P14679 1/20 0.45
TSHR P16473 1/20 0.45
TAS2R38 P59533 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
C5AR1 P21730 1/20 0.45
POLB P06746 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL3975811 1.00 SIRT2 (0.55) SIRT2NR1H4KMT2AALDH1A1TP53
SCHEMBL3982862 1.00 SIRT2 (0.55) SIRT2NR1H4KMT2AALDH1A1TP53
SCHEMBL3980739 1.00 SIRT2 (0.55) SIRT2NR1H4KMT2AALDH1A1TP53
SCHEMBL3977772 0.99 SIRT2 (0.56) SIRT2NR1H4KMT2AALDH1A1TP53
SCHEMBL3973721 0.95 SIRT2 (0.60) SIRT2NR1H4KMT2AALDH1A1TP53
SCHEMBL3426124 0.91 SIRT2 (0.59) SIRT2NR1H4KMT2AALDH1A1TP53
SCHEMBL3977061 0.91 ALDH1A1 (0.51) SIRT2KMT2AALDH1A1TP53TYR
SCHEMBL3978614 0.91 ALDH1A1 (0.51) SIRT2KMT2AALDH1A1TP53TYR
SCHEMBL3974860 0.91 ALDH1A1 (0.51) SIRT2KMT2AALDH1A1TP53TYR
SCHEMBL3973757 0.89 ALDH1A1 (0.53) SIRT2NR1H4KMT2AALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101522184-A Thiourea compounds NAT HEALTH RESEARCH INSTITUTES (CN) 2009-09-02 CN 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 (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 SIRT2 3582/4885NR1H4 597/4885KMT2A 1846/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 SIRT2 3921/4885NR1H4 566/4885KMT2A 2203/4885

“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.