SCHEMBL3979441

SCHEMBL3979441

CCCNC(=O)N(S)c1cccc(OCCCCCc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.60
MTNR1B P49286 10/20 0.60
CYP2D6 P10635 4/20 0.47
HPGD P15428 1/20 0.47
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
KCNH2 Q12809 1/20 0.44

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
SCHEMBL4981370 0.92 MTNR1A (0.61) MTNR1AMTNR1BHPGD
SCHEMBL4999591 0.82 MTNR1A (0.55) MTNR1AMTNR1BPPARGPPARA
SCHEMBL4993152 0.82 MTNR1A (0.55) MTNR1AMTNR1BPPARGPPARA
SCHEMBL3982936 0.82 MTNR1A (0.55) MTNR1AMTNR1BPPARGPPARA
SCHEMBL4982213 0.82 MTNR1A (0.55) MTNR1AMTNR1BPPARGPPARA
SCHEMBL4980983 0.81 MTNR1A (0.56) MTNR1AMTNR1BHPGD
SCHEMBL4983098 0.77 SIRT2 (0.52) MTNR1AMTNR1BHPGD
SCHEMBL3973779 0.76 NR1H4 (0.53) MTNR1AMTNR1BCYP2D6PPARGPPARA
SCHEMBL3982953 0.76 NPC1 (0.54) CYP2D6MEN1NPC1RAB9AKMT2A
SCHEMBL3397413 0.75 MTNR1A (1.00) MTNR1AMTNR1B

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 MTNR1A 4535/4885MTNR1B 3855/4885CYP2D6 491/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 MTNR1A 4383/4885MTNR1B 3688/4885CYP2D6 470/4885

“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.