SCHEMBL6604869

SCHEMBL6604869

CN1CCN(CCCN=C=S)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 0.45
NAAA Q02083 2/20 0.42
PAOX Q6QHF9 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
MIF P14174 3/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
BACH1 O14867 1/20 0.37
MAFK O60675 1/20 0.37
EGFR P00533 1/20 0.37
PTGS2 P35354 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
GSK3B P49841 1/20 0.36
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
CSNK2A3 Q8NEV1 1/20 0.35

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
SCHEMBL15269270 0.88 TRPA1 (0.39) TRPA1NAAAPAOXSIGMAR1MIF
SCHEMBL31528856 0.83 HRH3 (0.46) TRPA1NAAASIGMAR1MIFLMNA
SCHEMBL3997403 0.82 HRH3 (0.50) TRPA1NAAASIGMAR1MIFLMNA
SCHEMBL24162861 0.80 PAOX (0.43) PAOXSIGMAR1ALDH1A1TP53CSNK2A2
SCHEMBL24162864 0.80 PAOX (0.39) PAOXSIGMAR1ALDH1A1CSNK2A2CSNK2B
SCHEMBL1456965 0.78 KEAP1 (0.48) NAAASIGMAR1MIFALDH1A1LMNA
SCHEMBL3997328 0.78 HRH3 (0.50) TRPA1NAAAMIFALDH1A1LMNA
SCHEMBL4392338 0.76 PAOX (0.50) PAOXSIGMAR1ALDH1A1CSNK2A2CSNK2B
SCHEMBL4002648 0.76 HRH3 (0.54) TRPA1NAAAMIFLMNAKEAP1
Isothiocyanate SCHEMBL22394167 0.74 SMN1; SMN2 (0.44) NAAASIGMAR1ALDH1A1LMNAKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040210063-A1 Novel 2,4-diaminothiazole derivatives NOVO NORDISK A/S (DK) 2004-10-21 US disclosed
EP-1417188-A1 NOVEL 2,4-DIAMINOTHIAZOLE DERIVATIVES Novo Nordisk A/S (DK) 2004-05-12 EP disclosed
WO-2003011843-A1 NOVEL 2,4-DIAMINOTHIAZOLE DERIVATIVES NOVO NORDISK A/S (DK) 2003-02-13 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-20040210063-A1 Novel 2,4-diaminothiazole derivatives GSK3B, GSK3A, GYS2 TRPA1 3213/4885NAAA 3669/4885PAOX 1676/4885

“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.