SCHEMBL4882922

SCHEMBL4882922

Nc1cccc(CN2C(=O)c3ccccc3C2=O)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
PKM P14618 1/20 0.58
APP P05067 1/20 0.50
BACE1 P56817 1/20 0.50
MAPT P10636 2/20 0.48
RECQL P46063 2/20 0.48
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 2/20 0.44
CYP1B1 Q16678 1/20 0.44
CASP3 P42574 1/20 0.44
GLS O94925 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
TYR P14679 4/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 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
SCHEMBL8377843 0.88 ALDH1A1 (0.68) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL5348595 0.84 HSD17B10 (0.60) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL378947 0.80 ALDH1A1 (0.58) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL5028346 0.80 ALDH1A1 (0.58) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL29575442 0.80 ALDH1A1 (0.58) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL23796073 0.80 ALDH1A1 (0.58) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL1072206 0.80 ALDH1A1 (0.58) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL2766815 0.80 MEN1 (0.58) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL1632535 0.80 ALDH1A1 (0.58) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL38652361 0.80 MEN1 (0.58) ALDH1A1MEN1KMT2APKMMAPT

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 6 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-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
US-20030153596-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same PACIFIC CORPORATION (KR) 2003-08-14 US 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 2306/4885MEN1 4024/4885KMT2A 2593/4885
US-20080064687-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same TRPV1, TRPA1, TAS2R5 ALDH1A1 2182/4885MEN1 3770/4885KMT2A 4297/4885

“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.