SCHEMBL3983099

SCHEMBL3983099

NC(=O)N(S)c1cccc(OCCCOc2cccc3ccccc23)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.52
MCL1 Q07820 4/20 0.47
HTR1B P28222 5/20 0.47
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
BCL2 P10415 1/20 0.42
BCL2L1 Q07817 1/20 0.42
BAD Q92934 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
OGG1 O15527 1/20 0.42
ATM Q13315 1/20 0.41
SLC6A4 P31645 1/20 0.41
HRH1 P35367 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL3984511 0.98 KCNA3 (0.56) KCNA3MCL1HTR1BKDM4EALDH1A1
SCHEMBL4982992 0.97 KCNA3 (0.54) KCNA3MCL1HTR1BKDM4EALDH1A1
SCHEMBL3976814 0.97 KCNA3 (0.54) KCNA3MCL1HTR1BKDM4EALDH1A1
SCHEMBL3979123 0.97 KCNA3 (0.54) KCNA3MCL1HTR1BKDM4EALDH1A1
SCHEMBL3977812 0.97 KCNA3 (0.54) KCNA3MCL1HTR1BKDM4EALDH1A1
SCHEMBL3977090 0.85 PRSS1 (0.51) KCNA3KDM4EALDH1A1
SCHEMBL3974123 0.84 KCNA3 (0.58) KCNA3MCL1KDM4EMEN1KMT2A
SCHEMBL3976450 0.83 MRGPRX4 (0.43) MEN1KMT2A
SCHEMBL4091186 0.83 MTNR1A (0.45)
SCHEMBL3974053 0.83 MTNR1A (0.45)

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 KCNA3 3192/4885MCL1 178/4885HTR1B 4126/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 KCNA3 3151/4885MCL1 127/4885HTR1B 4013/4885

“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.