SCHEMBL3978010

SCHEMBL3978010

NC(=S)Nc1cccc(OCCCCCOc2ccnc3ccccc23)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.42
KDR P35968 1/20 0.42
MAPK14 Q16539 1/20 0.42
TNNI3K Q59H18 1/20 0.42
NCF1 P14598 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KCNA3 P22001 2/20 0.40
PRSS1 P07477 6/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL3981668 0.94 KMT2A (0.43) NCF1NPSR1KCNA3PRSS1KMT2A
SCHEMBL3979122 0.85 KCNA3 (0.58) KCNA3PRSS1KMT2A
SCHEMBL3976807 0.85 KCNA3 (0.58) KCNA3PRSS1KMT2A
SCHEMBL3977807 0.85 KCNA3 (0.58) KCNA3PRSS1KMT2A
SCHEMBL4092922 0.85 KCNA3 (0.58) KCNA3PRSS1KMT2A
SCHEMBL3976446 0.84 SMN1; SMN2 (0.44) KCNA3KMT2AMEN1
SCHEMBL3982995 0.84 KCNA3 (0.59) NPSR1KCNA3KMT2AMEN1
SCHEMBL3983095 0.82 KCNA3 (0.56) NPSR1KCNA3PRSS1KMT2AMEN1
SCHEMBL3980246 0.81 KMT2A (0.42) KCNA3PRSS1KMT2AMEN1
SCHEMBL3977061 0.81 ALDH1A1 (0.51) KCNA3PRSS1KMT2A

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 BRAF 981/4885KDR 4344/4885MAPK14 2363/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 BRAF 1077/4885KDR 4507/4885MAPK14 2391/4885

“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.