SCHEMBL4890714

SCHEMBL4890714

CC(C)(C)c1ccc(CNC(=S)Nc2ccccn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
ALOX12 P18054 3/20 0.54
RAB9A P51151 1/20 0.54
KDM4E B2RXH2 2/20 0.54
POLB P06746 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
GAA P10253 1/20 0.49
THRB P10828 1/20 0.49
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL5453846 0.84 ALDH1A1 (0.73) ALDH1A1ALOX12RAB9AKDM4EPOLB
SCHEMBL12049587 0.83 ALDH1A1 (0.57) ALDH1A1NPSR1HTT
SCHEMBL29580298 0.79 CXCR4 (0.74) ALDH1A1RAB9AKDM4ENPSR1GAA
SCHEMBL4895458 0.79 ALDH1A1 (0.72) ALDH1A1RAB9AKDM4ENPSR1HTT
SCHEMBL12049334 0.78 ALOX12 (0.72) ALDH1A1ALOX12RAB9APOLBGAA
SCHEMBL14859928 0.76 RAB9A (0.75) ALDH1A1RAB9ANPSR1THRBLMNA
SCHEMBL12049595 0.76 TRPV1 (0.59)
SCHEMBL4887051 0.75 TRPV1 (0.53)
SCHEMBL31349697 0.75 ALDH1A1 (0.66) ALDH1A1ALOX12RAB9AKDM4EPOLB
SCHEMBL31349696 0.75 ALDH1A1 (0.66) ALDH1A1ALOX12RAB9AKDM4EPOLB

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 ALDH1A1 2306/4885ALOX12 1594/4885RAB9A 997/4885
US-20080064687-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same TRPV1, TRPA1, TAS2R5 ALDH1A1 2182/4885ALOX12 641/4885RAB9A 778/4885

“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.