SCHEMBL4979308

SCHEMBL4979308

COc1cc(OCCCCCOc2cccc(N(S)C(N)=O)c2)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
MTNR1A P48039 10/20 0.43
MTNR1B P49286 10/20 0.43
BRD4 O60885 1/20 0.41
KMT2A Q03164 1/20 0.41
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
PRSS1 P07477 2/20 0.39
MAPK1 P28482 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
SCHEMBL4977288 0.91 MTNR1A (0.45) MTNR1AMTNR1BTHRATHRB
SCHEMBL4237783 0.88 LMNA (0.47) MTNR1AMTNR1BKMT2A
SCHEMBL3981848 0.87 MTNR1A (0.48) MTNR1AMTNR1BKMT2AMAPK1
SCHEMBL4981179 0.86 MTNR1A (0.46) MTNR1AMTNR1BPRSS1
SCHEMBL3976450 0.84 MRGPRX4 (0.43) HDAC1MTNR1AMTNR1BKMT2ATHRA
SCHEMBL3975780 0.83 MTNR1A (0.53) HDAC1HDAC2MTNR1AMTNR1BPRSS1
SCHEMBL3982083 0.83 MTNR1A (0.53) HDAC1HDAC2MTNR1AMTNR1BPRSS1
SCHEMBL3978617 0.83 MTNR1A (0.53) HDAC1HDAC2MTNR1AMTNR1BPRSS1
SCHEMBL4979327 0.83 FFAR1 (0.46) HDAC1HDAC2MTNR1AMTNR1B
SCHEMBL3973759 0.81 MTNR1A (0.51) MTNR1AMTNR1BPRSS1

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 HDAC1 4216/4885HDAC2 4177/4885MTNR1A 4535/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 HDAC1 3829/4885HDAC2 4265/4885MTNR1A 4383/4885

“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.