SCHEMBL3974050

SCHEMBL3974050

NC(=S)Nc1cccc(OCCCCCCc2cccc3ccccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.44
MTNR1B P49286 9/20 0.44
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNA3 P22001 1/20 0.42
PRSS1 P07477 4/20 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
SCHEMBL4091183 1.00 MTNR1A (0.44) MTNR1AMTNR1BPOLBRAB9AKMT2A
SCHEMBL3979122 0.87 KCNA3 (0.58) RAB9AKMT2AKCNA3PRSS1
SCHEMBL4092922 0.87 KCNA3 (0.58) RAB9AKMT2AKCNA3PRSS1
SCHEMBL3976807 0.87 KCNA3 (0.58) RAB9AKMT2AKCNA3PRSS1
SCHEMBL3977807 0.87 KCNA3 (0.58) RAB9AKMT2AKCNA3PRSS1
SCHEMBL3982995 0.86 KCNA3 (0.59) RAB9AKMT2AKCNA3
SCHEMBL3983095 0.83 KCNA3 (0.56) RAB9AKMT2AKCNA3PRSS1
SCHEMBL3978630 0.83 HDAC1 (0.50) RAB9AKMT2APRSS1
SCHEMBL3977061 0.83 ALDH1A1 (0.51) RAB9AKMT2AKCNA3PRSS1
SCHEMBL3974860 0.83 ALDH1A1 (0.51) RAB9AKMT2AKCNA3PRSS1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101522184-A Thiourea compounds NAT HEALTH RESEARCH INSTITUTES (CN) 2009-09-02 CN disclosed
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 MTNR1A 4535/4885MTNR1B 3855/4885POLB 3499/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 MTNR1A 4383/4885MTNR1B 3688/4885POLB 3373/4885

“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.