SCHEMBL3976071

SCHEMBL3976071

NC(=O)N(S)c1cccc(OCCCCCOc2cccc(-c3ccccc3)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.54
HDAC2 Q92769 2/20 0.54
HRH3 Q9Y5N1 7/20 0.50
MTNR1A P48039 9/20 0.49
MTNR1B P49286 9/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
MRGPRX4 Q96LA9 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
SCHEMBL3978338 0.94 HDAC1 (0.50) HDAC1HDAC2HRH3MTNR1AMTNR1B
SCHEMBL3976352 0.94 HDAC1 (0.50) HDAC1HDAC2HRH3MTNR1AMTNR1B
SCHEMBL3978603 0.94 HDAC1 (0.50) HDAC1HDAC2HRH3MTNR1AMTNR1B
SCHEMBL3977185 0.93 FFAR4 (0.49) HDAC1HDAC2MTNR1AMTNR1BHDAC3
SCHEMBL3975780 0.92 MTNR1A (0.53) HDAC1HDAC2MTNR1AMTNR1BHDAC3
SCHEMBL3978617 0.92 MTNR1A (0.53) HDAC1HDAC2MTNR1AMTNR1BHDAC3
SCHEMBL3982083 0.92 MTNR1A (0.53) HDAC1HDAC2MTNR1AMTNR1BHDAC3
SCHEMBL3973759 0.91 MTNR1A (0.51) MTNR1AMTNR1B
SCHEMBL3975170 0.90 FFAR1 (0.49) HDAC1HDAC2MTNR1AMTNR1BHDAC3
SCHEMBL3977090 0.88 PRSS1 (0.51) 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 HDAC1 4216/4885HDAC2 4177/4885HRH3 3430/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 HDAC1 3829/4885HDAC2 4265/4885HRH3 3628/4885

“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.