SCHEMBL5458502

SCHEMBL5458502

CCC[C@H](NC(N)=S)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.47
TACR3 P29371 1/20 0.43
RPS6KB1 P23443 1/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
USP9X Q93008 2/20 0.39
UCHL1 P09936 1/20 0.39
USP5 P45974 1/20 0.39
GPR88 Q9GZN0 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RIPK1 Q13546 1/20 0.39

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
SCHEMBL5453374 0.90 TACR3 (0.47) AOC3TACR3NPC1HTTPOLB
SCHEMBL5320174 0.90 TACR3 (0.47) AOC3TACR3NPC1HTTPOLB
SCHEMBL17956754 0.89 TACR3 (0.46) AOC3TACR3NPC1POLBGPR88
SCHEMBL11239095 0.86 NPC1 (0.54) TACR3NPC1MAPTMEN1KMT2A
SCHEMBL28072058 0.84 ROCK1 (0.47) TACR3RPS6KB1NPC1MAPTALDH1A1
SCHEMBL28072056 0.84 ROCK1 (0.47) TACR3RPS6KB1NPC1MAPTALDH1A1
SCHEMBL5463448 0.83 KMT2A (0.44) MEN1KMT2AALDH1A1HPGD
SCHEMBL25265872 0.83 AOC3 (0.47) AOC3TACR3RPS6KB1HTTMAPT
SCHEMBL1955325 0.83 LMNA (0.50) AOC3TACR3RPS6KB1POLBUSP9X
SCHEMBL28750811 0.80 RIPK1 (0.49) RPS6KB1GPR88ALDH1A1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420679-B2 Aminothiazole derivatives and their use as CRF receptor ligands SANOFI (FR) 2013-04-16 US disclosed
US-20070281919-A1 Aminothiazole Derivatives And Their Use As CRF Receptor Ligands SANOFI-AVENTIS (FR) 2007-12-06 US disclosed
EP-1200419-B1 AMINOTHIAZOLE DERIVATIVES AND THEIR USE AS CRF RECEPTOR LIGANDS SANOFI SYNTHELABO (FR) 2004-04-14 EP disclosed
US-6586456-B1 Corticotropin releasing factor (CRF) antagonists such as (4-(2-chloro-4-methoxy-5-methylphenyl)-5-methylthiazol-2-yl)(( (1-(3-fluoro-4-methylphenyl)-2-methoxyethyl))prop-2-ynylamine, prepared by alkylation with propagyl bromide SANOFI-SYNTHELABO (FR) 2003-07-01 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 (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-20070281919-A1 Aminothiazole Derivatives And Their Use As CRF Receptor Ligands CRH, CRHR1, CRHR2 AOC3 1488/4885TACR3 210/4885RPS6KB1 1647/4885

“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.