SCHEMBL3979421

SCHEMBL3979421

CCCCCCN(S)C(=O)Nc1cccc(OCCCCCc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.50
CNR2 P34972 3/20 0.49
CNR1 P21554 2/20 0.49
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
PLK1 P53350 1/20 0.48
THRB P10828 1/20 0.48
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
CYP2D6 P10635 3/20 0.47
KMT2A Q03164 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.45

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
SCHEMBL3974862 1.00 NR1H4 (0.50) NR1H4CNR2CNR1PPARGPPARA
SCHEMBL3978327 1.00 NR1H4 (0.50) NR1H4CNR2CNR1PPARGPPARA
SCHEMBL4278913 1.00 NR1H4 (0.50) NR1H4CNR2CNR1PPARGPPARA
SCHEMBL3973717 0.97 NR1H4 (0.49) NR1H4CNR2CNR1PPARGPPARA
SCHEMBL4979439 0.95 NR1H4 (0.53) NR1H4MTNR1AMTNR1BKMT2ASIRT2
SCHEMBL4981666 0.91 NR1H4 (0.53) NR1H4MTNR1AMTNR1BKMT2ASIRT2
SCHEMBL3973779 0.91 NR1H4 (0.53) NR1H4CNR2CNR1PPARGPPARA
SCHEMBL3978203 0.85 NR1H4 (0.54) NR1H4CNR2CNR1THRBMTNR1A
SCHEMBL10807106 0.82 NR1H4 (0.57) NR1H4THRBMTNR1AMTNR1BCYP2D6
SCHEMBL4278907 0.76 MAPT (0.60) NR1H4CNR2CNR1KMT2A

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 NR1H4 597/4885CNR2 2478/4885CNR1 2464/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 NR1H4 566/4885CNR2 2760/4885CNR1 2101/4885

“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.