SCHEMBL2953799

SCHEMBL2953799

COc1ccc(C2CCCCC2)cc1-c1csc(NC(=O)NN2CCN(CC3CCCN(C)C3)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.39
MEN1 O00255 8/20 0.39
MAPT P10636 6/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MCHR1 Q99705 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
MAPK1 P28482 1/20 0.37
CCR2 P41597 1/20 0.36
KCNH2 Q12809 1/20 0.36
NPC1 O15118 1/20 0.36
TYR P14679 1/20 0.36
TRPA1 O75762 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
SCHEMBL2953795 1.00 KMT2A (0.39) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL2960076 0.90 P2RX3 (0.37) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL2960079 0.90 P2RX3 (0.37) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL13199024 0.90 CCR2 (0.46) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL13198990 0.90 CCR2 (0.46) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL13199023 0.90 CCR2 (0.46) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL13199025 0.89 CCR2 (0.47) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL13199013 0.89 CCR2 (0.47) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL2957792 0.89 ACHE (0.43) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL2948289 0.88 TLR9 (0.42) KMT2AMEN1MAPTHTTSMN1; SMN2

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 7 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 claimed
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
US-7767681-B2 2-Carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-08-03 US 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 KMT2A 1446/4885MEN1 990/4885MAPT 645/4885

“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.