SCHEMBL3976446

SCHEMBL3976446

COc1ccc(OCCCCCOc2cccc(NC(N)=S)c2)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
BRD4 O60885 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 1/20 0.43
KMT2A Q03164 2/20 0.42
RAB9A P51151 2/20 0.42
KCNA3 P22001 1/20 0.42
CYP1A2 P05177 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
ALDH1A1 P00352 3/20 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
SCHEMBL3975036 0.92 ADRB2 (0.48) SMN1; SMN2LMNAPOLBKMT2ARAB9A
SCHEMBL4977275 0.88 THRB (0.46) SMN1; SMN2LMNAGAAKMT2ARAB9A
SCHEMBL3980246 0.88 KMT2A (0.42) SMN1; SMN2LMNAHTTKMT2AKCNA3
SCHEMBL3977807 0.87 KCNA3 (0.58) KMT2ARAB9AKCNA3
SCHEMBL3976807 0.87 KCNA3 (0.58) KMT2ARAB9AKCNA3
SCHEMBL4092922 0.87 KCNA3 (0.58) KMT2ARAB9AKCNA3
SCHEMBL3979122 0.87 KCNA3 (0.58) KMT2ARAB9AKCNA3
SCHEMBL3982995 0.86 KCNA3 (0.59) SMN1; SMN2LMNAKMT2ARAB9AKCNA3
SCHEMBL3978010 0.84 BRAF (0.42) KMT2AKCNA3MEN1
SCHEMBL3981844 0.84 MAPT (0.50) SMN1; SMN2LMNAGAAPOLBKMT2A

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 SMN1; SMN2 3723/4885LMNA 4873/4885BRD4 2825/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 SMN1; SMN2 3639/4885LMNA 4858/4885BRD4 2820/4885

“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.