SCHEMBL4979439

SCHEMBL4979439

O=C(Nc1cccc(OCCCCCc2ccccc2)c1)N(S)CCCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.53
SIRT2 Q8IXJ6 2/20 0.49
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
KMT2A Q03164 1/20 0.48
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
RAB9A P51151 1/20 0.45
LPAR1 Q92633 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL4981666 0.96 NR1H4 (0.53) NR1H4SIRT2MTNR1AMTNR1BKMT2A
SCHEMBL3974862 0.95 NR1H4 (0.50) NR1H4SIRT2MTNR1AMTNR1BKMT2A
SCHEMBL3979421 0.95 NR1H4 (0.50) NR1H4SIRT2MTNR1AMTNR1BKMT2A
SCHEMBL3978327 0.95 NR1H4 (0.50) NR1H4SIRT2MTNR1AMTNR1BKMT2A
SCHEMBL4278913 0.95 NR1H4 (0.50) NR1H4SIRT2MTNR1AMTNR1BKMT2A
SCHEMBL3973717 0.94 NR1H4 (0.49) NR1H4SIRT2MTNR1AMTNR1BKMT2A
SCHEMBL3973779 0.91 NR1H4 (0.53) NR1H4SIRT2MTNR1AMTNR1BKMT2A
SCHEMBL3978203 0.88 NR1H4 (0.54) NR1H4SIRT2MTNR1AMTNR1BKMT2A
SCHEMBL10807106 0.84 NR1H4 (0.57) NR1H4SIRT2MTNR1AMTNR1BKMT2A
SCHEMBL10810478 0.77 SIRT2 (0.54) NR1H4SIRT2MTNR1AMTNR1BKMT2A

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 NR1H4 597/4885SIRT2 3582/4885MTNR1A 4535/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 NR1H4 566/4885SIRT2 3921/4885MTNR1A 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.