SCHEMBL4887193

SCHEMBL4887193

Cc1ncccc1CNN1C(=O)c2ccccc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.44
P2RX7 Q99572 3/20 0.41
CYP2C9 P11712 1/20 0.41
NAMPT P43490 1/20 0.41
GAA P10253 1/20 0.40
VHL P40337 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
PIK3CA P42336 1/20 0.38
MAPK1 P28482 1/20 0.38
GRM5 P41594 1/20 0.38
F2 P00734 1/20 0.38
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 1/20 0.37
LMNA P02545 2/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36

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
SCHEMBL12725681 0.80 MEN1 (0.57) GABRA5P2RX7GAAMEN1ALDH1A1
SCHEMBL6924645 0.73 ALDH1A1 (0.54) GABRA5CYP2C9GAAVHLMEN1
SCHEMBL7128628 0.73 GABRA5 (0.41) GABRA5P2RX7VHLMEN1ALDH1A1
SCHEMBL29261090 0.73 CYP2C19 (0.51) GAAMEN1ALDH1A1PKMKMT2A
Iodide SCHEMBL8116687 0.71 HSD17B10 (0.51) MEN1KMT2AHSD17B10LMNA
SCHEMBL7480860 0.70 SMN1; SMN2 (0.56) CYP2C9GAAMEN1ALDH1A1KMT2A
SCHEMBL6047196 0.70 CYP2C9 (0.43) GABRA5P2RX7CYP2C9NAMPT
SCHEMBL21532910 0.69 P2RX7 (0.49) GABRA5P2RX7CYP2C9NAMPTGAA
SCHEMBL2036237 0.69 L3MBTL1 (0.54) MEN1ALDH1A1KMT2ACYP1A2LMNA
SCHEMBL13731868 0.68 CYP2C9 (0.59) P2RX7CYP2C9NAMPTGAAMEN1

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 5 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-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
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 (1 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-20080064687-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same TRPV1, TRPA1, TAS2R5 GABRA5 234/4885P2RX7 172/4885CYP2C9 610/4885

“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.