SCHEMBL2948289

SCHEMBL2948289

COc1ccc(C2CCCCC2)cc1-c1csc(NC(=O)NN2CCN(CC3CCCCN3C)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
MCHR1 Q99705 2/20 0.42
MAPT P10636 7/20 0.40
KDM4E B2RXH2 3/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SPHK2 Q9NRA0 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
KMT2A Q03164 10/20 0.39
MEN1 O00255 8/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NPC1 O15118 1/20 0.39
CPT1A P50416 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL2957792 0.91 ACHE (0.43) MAPTKDM4EHTTALDH1A1LMNA
SCHEMBL13198806 0.90 ROCK1 (0.44) TLR9TLR7MCHR1MAPTKDM4E
SCHEMBL2953795 0.88 KMT2A (0.39) MCHR1MAPTKDM4EHTTALDH1A1
SCHEMBL2953799 0.88 KMT2A (0.39) MCHR1MAPTKDM4EHTTALDH1A1
SCHEMBL2957660 0.87 CPT1A (0.41) MAPTKDM4EHTTALDH1A1LMNA
SCHEMBL2957810 0.86 KCNQ1 (0.40) MAPTKDM4EHTTALDH1A1LMNA
SCHEMBL2960067 0.83 KMT2A (0.40) MCHR1MAPTKDM4EHTTALDH1A1
SCHEMBL2960057 0.83 MAPT (0.44) MAPTKDM4EHTTALDH1A1LMNA
SCHEMBL2960079 0.83 P2RX3 (0.37) MAPTKDM4EHTTALDH1A1LMNA
SCHEMBL2960076 0.83 P2RX3 (0.37) MAPTKDM4EHTTALDH1A1LMNA

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-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 TLR9 4324/4885TLR7 2399/4885MCHR1 3813/4885

“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.