SCHEMBL3973779

SCHEMBL3973779

CCN(S)C(=O)Nc1cccc(OCCCCCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.53
KMT2A Q03164 1/20 0.51
SIRT2 Q8IXJ6 2/20 0.49
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
RAB9A P51151 1/20 0.47
THRB P10828 1/20 0.47
CNR2 P34972 2/20 0.46
CNR1 P21554 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46

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
SCHEMBL3973717 0.92 NR1H4 (0.49) NR1H4KMT2ASIRT2MTNR1AMTNR1B
SCHEMBL4981666 0.91 NR1H4 (0.53) NR1H4KMT2ASIRT2MTNR1AMTNR1B
SCHEMBL4979439 0.91 NR1H4 (0.53) NR1H4KMT2ASIRT2MTNR1AMTNR1B
SCHEMBL3979421 0.91 NR1H4 (0.50) NR1H4KMT2ASIRT2MTNR1AMTNR1B
SCHEMBL3974862 0.91 NR1H4 (0.50) NR1H4KMT2ASIRT2MTNR1AMTNR1B
SCHEMBL4278913 0.91 NR1H4 (0.50) NR1H4KMT2ASIRT2MTNR1AMTNR1B
SCHEMBL3978327 0.91 NR1H4 (0.50) NR1H4KMT2ASIRT2MTNR1AMTNR1B
SCHEMBL3978203 0.90 NR1H4 (0.54) NR1H4KMT2ASIRT2MTNR1AMTNR1B
SCHEMBL10807106 0.86 NR1H4 (0.57) NR1H4KMT2ASIRT2MTNR1AMTNR1B
SCHEMBL10810478 0.80 SIRT2 (0.54) NR1H4KMT2ASIRT2MTNR1AMTNR1B

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 NR1H4 597/4885KMT2A 1846/4885SIRT2 3582/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 NR1H4 566/4885KMT2A 2203/4885SIRT2 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.