SCHEMBL4993152

SCHEMBL4993152

NC(=O)N(S)c1cccc(OCCCCCCCCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.55
MTNR1B P49286 5/20 0.55
SIRT2 Q8IXJ6 2/20 0.47
FFAR1 O14842 1/20 0.47
PLA2G4B P0C869 1/20 0.45
LPAR1 Q92633 1/20 0.44
S1PR1 P21453 2/20 0.44
S1PR3 Q99500 1/20 0.44
S1PR5 Q9H228 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
NR1H4 Q96RI1 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
SCHEMBL4999591 1.00 MTNR1A (0.55) MTNR1AMTNR1BSIRT2FFAR1PLA2G4B
SCHEMBL4982213 1.00 MTNR1A (0.55) MTNR1AMTNR1BSIRT2FFAR1PLA2G4B
SCHEMBL3982936 1.00 MTNR1A (0.55) MTNR1AMTNR1BSIRT2FFAR1PLA2G4B
SCHEMBL4980983 0.99 MTNR1A (0.56) MTNR1AMTNR1BSIRT2FFAR1PLA2G4B
SCHEMBL4983098 0.95 SIRT2 (0.52) MTNR1AMTNR1BSIRT2FFAR1LPAR1
SCHEMBL3982083 0.91 MTNR1A (0.53) MTNR1AMTNR1B
SCHEMBL3978617 0.91 MTNR1A (0.53) MTNR1AMTNR1B
SCHEMBL3975780 0.91 MTNR1A (0.53) MTNR1AMTNR1B
SCHEMBL3973759 0.90 MTNR1A (0.51) MTNR1AMTNR1B
SCHEMBL3978236 0.89 ACHE (0.46) MTNR1AMTNR1BPLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113975-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-05-15 US 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 (1 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-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 MTNR1A 4383/4885MTNR1B 3688/4885SIRT2 3921/4885

“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.