SCHEMBL2961641

SCHEMBL2961641

CCCc1ccc(OC)c(-c2csc(NC(=O)NN3CCN(CCN(C)C)CC3)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.45
MEN1 O00255 8/20 0.45
MAPT P10636 4/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
MAPK1 P28482 2/20 0.40
LMNA P02545 2/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NPC1 O15118 1/20 0.39
ACHE P22303 1/20 0.39
KCNQ1 P51787 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
SCHEMBL2957637 0.89 KMT2A (0.45) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL13198975 0.89 KMT2A (0.47) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL2961585 0.88 ROCK1 (0.47) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL2959953 0.88 KMT2A (0.44) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL2955233 0.87 KMT2A (0.51) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL2961877 0.85 KMT2A (0.45) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL2961537 0.85 KMT2A (0.42) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL2953683 0.84 ALDH1A1 (0.50) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL2950908 0.83 KMT2A (0.45) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL2953617 0.83 KMT2A (0.40) 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 8 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
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 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.