SCHEMBL4983235

SCHEMBL4983235

NC(=O)N(S)c1cccc(OCCCCCOc2ccccc2-c2ccc(F)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
FFAR4 Q5NUL3 2/20 0.40
LTB4R Q15722 2/20 0.39
MTNR1A P48039 6/20 0.39
MTNR1B P49286 6/20 0.39
LMNA P02545 2/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
ALDH1A1 P00352 2/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
MAPT P10636 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HTR7 P34969 1/20 0.37
BCL9 O00512 1/20 0.37
CTNNB1 P35222 1/20 0.37

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
SCHEMBL4979394 0.94 PTGER1 (0.40) KDM4EFFAR4MTNR1AMTNR1BLMNA
SCHEMBL4267805 0.93 KDM4E (0.48) KDM4EFFAR4MTNR1AMTNR1BLMNA
SCHEMBL3974854 0.91 KDM4E (0.49) KDM4EFFAR4LMNAALDH1A1SMN1; SMN2
SCHEMBL4982625 0.91 KDM4E (0.42) KDM4EFFAR4MTNR1AMTNR1BLMNA
SCHEMBL4982648 0.91 FABP4 (0.41) KDM4EFFAR4LTB4RMTNR1AMTNR1B
SCHEMBL3984320 0.90 PTGDR2 (0.42) KDM4EFFAR4LTB4RMTNR1AMTNR1B
SCHEMBL4980205 0.90 L3MBTL1 (0.43) KDM4EFFAR4LTB4RMTNR1AMTNR1B
SCHEMBL3980259 0.89 KDM4E (0.46) KDM4EFFAR4LMNAALDH1A1SMN1; SMN2
SCHEMBL3974991 0.87 KDM4E (0.44) KDM4EMTNR1AMTNR1BSIRT2SMN1; SMN2
SCHEMBL4980626 0.86 KDM4E (0.42) KDM4EMTNR1AMTNR1BLMNAALDH1A1

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 KDM4E 1989/4885FFAR4 3904/4885LTB4R 2744/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 KDM4E 2103/4885FFAR4 4050/4885LTB4R 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.