SCHEMBL4887462

SCHEMBL4887462

Cn1cccc1CNC(=S)NCCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C19 P33261 1/20 0.63
SMN1; SMN2 Q16637 3/20 0.61
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
LMNA P02545 7/20 0.55
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
GAA P10253 3/20 0.55
POLB P06746 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
MAPT P10636 2/20 0.54
ALOX12 P18054 2/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HPGD P15428 1/20 0.52
TAAR1 Q96RJ0 1/20 0.51

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
SCHEMBL2974373 0.79 CYP3A4 (0.97) CYP3A4CYP2D6CYP2C19SMN1; SMN2NPC1
SCHEMBL6524477 0.78 RAB9A (1.00) CYP3A4CYP2D6CYP2C19SMN1; SMN2NPC1
SCHEMBL4889952 0.76 TRPV1 (0.49)
SCHEMBL4880046 0.74 LMNA (0.53) SMN1; SMN2LMNAKMT2AMEN1GAA
SCHEMBL158616 0.74 RAB9A (0.81) CYP3A4CYP2C19SMN1; SMN2NPC1RAB9A
SCHEMBL4892846 0.73 TRPV1 (0.57) LMNA
SCHEMBL11632322 0.72 RAB9A (0.78) CYP3A4CYP2C19SMN1; SMN2NPC1RAB9A
SCHEMBL15398364 0.72 MEN1 (0.75) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL11567290 0.71 ALDH1A1 (0.71) CYP3A4CYP2D6CYP2C19SMN1; SMN2RAB9A
SCHEMBL2755870 0.71 SMN1; SMN2 (0.67) CYP3A4CYP2D6CYP2C19SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071650-B2 Vanilloid receptor modulators; analgesic, antiinflammatory and antiulcer effects; such as 1-(1H-indol-5-ylmethyl)-3-phenethylthiourea PACIFIC CORPORATION (KR) 2011-12-06 US disclosed
US-8071650-B2 Vanilloid receptor modulators; analgesic, antiinflammatory and antiulcer effects; such as 1-(1H-indol-5-ylmethyl)-3-phenethylthiourea PACIFIC CORPORATION (KR) 2011-12-06 US disclosed
US-8071650-B2 Vanilloid receptor modulators; analgesic, antiinflammatory and antiulcer effects; such as 1-(1H-indol-5-ylmethyl)-3-phenethylthiourea PACIFIC CORPORATION (KR) 2011-12-06 US disclosed
US-20080064687-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same SUH YOUNG G 2008-03-13 US disclosed
US-20080064687-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same SUH YOUNG G 2008-03-13 US disclosed
US-20080064687-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same SUH YOUNG G 2008-03-13 US disclosed
EP-1303483-A4 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORP (KR) 2004-11-03 EP disclosed
US-20030153596-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same PACIFIC CORPORATION (KR) 2003-08-14 US disclosed
EP-1303483-A1 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2003-04-23 EP disclosed
WO-2002016318-A1 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2002-02-28 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-20030153596-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same TAS2R40, TAS1R2, TAS2R45 CYP3A4 1510/4885CYP2D6 988/4885CYP2C19 841/4885
US-20080064687-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same TRPV1, TRPA1, TAS2R5 CYP3A4 922/4885CYP2D6 720/4885CYP2C19 658/4885

“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.