SCHEMBL4977288

SCHEMBL4977288

COc1ccc(OCCCCCOc2cccc(N(S)C(N)=O)c2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.45
MTNR1B P49286 9/20 0.45
LTB4R Q15722 1/20 0.43
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
HCRTR2 O43614 2/20 0.42
NR1H3 Q13133 1/20 0.42

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
SCHEMBL4979308 0.91 HDAC1 (0.43) MTNR1AMTNR1BTHRATHRB
SCHEMBL4237783 0.91 LMNA (0.47) MTNR1AMTNR1B
SCHEMBL4981179 0.90 MTNR1A (0.46) MTNR1AMTNR1B
SCHEMBL3981848 0.89 MTNR1A (0.48) MTNR1AMTNR1B
SCHEMBL3976450 0.89 MRGPRX4 (0.43) MTNR1AMTNR1BLTB4RTHRATHRB
SCHEMBL4979327 0.87 FFAR1 (0.46) MTNR1AMTNR1BLTB4R
SCHEMBL4980061 0.87 MAPT (0.48) MTNR1AMTNR1B
SCHEMBL3427189 0.85 THRB (0.47) MTNR1AMTNR1BTHRATHRB
SCHEMBL3978617 0.85 MTNR1A (0.53) MTNR1AMTNR1B
SCHEMBL3975780 0.85 MTNR1A (0.53) 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 2 patents. 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
US-20080096875-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-04-24 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 (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 3855/4885LTB4R 2744/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 MTNR1A 4383/4885MTNR1B 3688/4885LTB4R 2958/4885

“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.