SCHEMBL3983095

SCHEMBL3983095

NC(=S)Nc1cccc(OCCCOc2cccc3ccccc23)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.56
HTR1B P28222 8/20 0.50
SLC6A4 P31645 2/20 0.47
HRH1 P35367 1/20 0.47
DAPK1 P53355 1/20 0.46
PIM3 Q86V86 1/20 0.46
KMT2A Q03164 3/20 0.45
RAB9A P51151 1/20 0.45
HTR1D P28221 2/20 0.45
NR2E1 Q9Y466 1/20 0.44
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
PRSS1 P07477 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
F2 P00734 1/20 0.43
PLG P00747 1/20 0.43
PRSS2 P07478 1/20 0.43
C1S P09871 1/20 0.43

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
SCHEMBL3982995 0.97 KCNA3 (0.59) KCNA3HTR1BSLC6A4HRH1DAPK1
SCHEMBL3976807 0.96 KCNA3 (0.58) KCNA3HTR1BSLC6A4HRH1DAPK1
SCHEMBL3979122 0.96 KCNA3 (0.58) KCNA3HTR1BSLC6A4HRH1DAPK1
SCHEMBL3977807 0.96 KCNA3 (0.58) KCNA3HTR1BSLC6A4HRH1DAPK1
SCHEMBL4092922 0.96 KCNA3 (0.58) KCNA3HTR1BSLC6A4HRH1DAPK1
SCHEMBL3977087 0.85 PRSS1 (0.54) KMT2ARAB9AMEN1ALDH1A1PRSS1
SCHEMBL3974050 0.83 MTNR1A (0.44) KCNA3KMT2ARAB9APRSS1
SCHEMBL3976446 0.83 SMN1; SMN2 (0.44) KCNA3KMT2ARAB9AMEN1ALDH1A1
SCHEMBL4091183 0.83 MTNR1A (0.44) KCNA3KMT2ARAB9APRSS1
SCHEMBL3974116 0.83 KCNA3 (0.62) KCNA3KMT2AMEN1KDM4EALDH1A1

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 8 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-20080113975-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-05-15 US 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
US-20080096875-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-04-24 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 3192/4885HTR1B 4126/4885SLC6A4 2284/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 KCNA3 3151/4885HTR1B 4013/4885SLC6A4 2455/4885

“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.