SCHEMBL2953665

SCHEMBL2953665

COc1ccc(C2CCCCC2)cc1-c1nc(NC(=O)NN2CCN(C3CCN(C)CC3)CC2)sc1F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
MCHR1 Q99705 4/20 0.37
TLR9 Q9NR96 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
SAE1 Q9UBE0 1/20 0.35
ACHE P22303 2/20 0.35
TRPV4 Q9HBA0 1/20 0.35
ABL1 P00519 1/20 0.35
CHRM4 P08173 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
EGFR P00533 1/20 0.34
QDPR P09417 1/20 0.34
BCHE P06276 1/20 0.34
GRIN2B Q13224 1/20 0.34
GHSR Q92847 1/20 0.34
STAT3 P40763 1/20 0.34

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
SCHEMBL2960067 0.85 KMT2A (0.40) TDP1MCHR1
SCHEMBL13199012 0.77 ADORA2A (0.42) MCHR1TRPV4
SCHEMBL13199015 0.77 ADORA2A (0.42) MCHR1TRPV4
SCHEMBL2959697 0.73 CCNT1 (0.38)
SCHEMBL2953761 0.72 KMT2A (0.37)
SCHEMBL2957792 0.72 ACHE (0.43) ACHE
SCHEMBL3600029 0.71 PDE4B (0.41)
SCHEMBL2953795 0.70 KMT2A (0.39) MCHR1
SCHEMBL2953799 0.70 KMT2A (0.39) MCHR1
SCHEMBL2959716 0.70 KMT2A (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771425-B1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2008-05-14 EP claimed
US-20070179126-A1 2-carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-08-02 US claimed
EP-1771425-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-04-11 EP claimed
WO-2006016039-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2006-02-16 WO claimed
US-7767681-B2 2-Carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-08-03 US disclosed
EP-1771425-B1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2008-05-14 EP disclosed
US-20070179126-A1 2-carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-08-02 US disclosed
EP-1771425-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-04-11 EP disclosed
WO-2006016039-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2006-02-16 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-20070179126-A1 2-carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof UGT2B7, PKD2, CYP2C19 TDP1 2569/4885MCHR1 3813/4885TLR9 4324/4885

“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.