SCHEMBL3979321

SCHEMBL3979321

NC(=O)N(S)c1cccc(NCCCCCc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
TRPV1 Q8NER1 1/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
KDM4E B2RXH2 2/20 0.40
FAAH O00519 1/20 0.40
ASPH Q12797 1/20 0.40
RIOX2 Q8IUF8 1/20 0.40
KDM8 Q8N371 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
EPHX1 P07099 1/20 0.39
PIK3CD O00329 1/20 0.39

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
SCHEMBL4981130 1.00 KMT2A (0.43) KMT2AMEN1TRPV1ALDH1A1GAA
SCHEMBL4982507 1.00 KMT2A (0.43) KMT2AMEN1TRPV1ALDH1A1GAA
SCHEMBL4979092 1.00 KMT2A (0.43) KMT2AMEN1TRPV1ALDH1A1GAA
SCHEMBL4982692 0.99 KMT2A (0.44) KMT2AMEN1TRPV1ALDH1A1GAA
SCHEMBL4982646 0.95 KDM4E (0.44) KMT2AMEN1ALDH1A1GAAALOX15
SCHEMBL4981271 0.78 PIK3CD (0.39) ALDH1A1ALOX15TP53SMN1; SMN2MAPT
SCHEMBL4982213 0.77 MTNR1A (0.55)
SCHEMBL4999591 0.77 MTNR1A (0.55)
SCHEMBL4993152 0.77 MTNR1A (0.55)
SCHEMBL3982936 0.77 MTNR1A (0.55)

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 4 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-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 1846/4885MEN1 2494/4885TRPV1 4670/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 KMT2A 2203/4885MEN1 2000/4885TRPV1 4703/4885

“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.