SCHEMBL2953683

SCHEMBL2953683

CCCc1ccc(OC)c(-c2csc(NC(=O)NN3CCN(CCC4CCCO4)CC3)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MAPT P10636 4/20 0.50
HTT P42858 3/20 0.50
LMNA P02545 3/20 0.50
KDM4E B2RXH2 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HPGD P15428 2/20 0.50
THRB P10828 1/20 0.50
KMT2A Q03164 6/20 0.43
MEN1 O00255 4/20 0.43
ALOX15 P16050 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ROCK1 Q13464 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KCNQ1 P51787 1/20 0.40
ACHE P22303 1/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 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
SCHEMBL2959953 0.85 KMT2A (0.44) ALDH1A1MAPTHTTLMNAKDM4E
SCHEMBL2957637 0.85 KMT2A (0.45) MAPTHTTLMNAKMT2AMEN1
SCHEMBL2961641 0.84 KMT2A (0.45) MAPTHTTLMNAKMT2AMEN1
SCHEMBL2955233 0.83 KMT2A (0.51) MAPTHTTLMNAKDM4EKMT2A
SCHEMBL2961585 0.83 ROCK1 (0.47) ALDH1A1MAPTHTTKMT2AMEN1
SCHEMBL2961537 0.83 KMT2A (0.42) ALDH1A1MAPTHTTLMNAKDM4E
SCHEMBL2953617 0.82 KMT2A (0.40) ALDH1A1MAPTHTTLMNAKDM4E
SCHEMBL2961877 0.82 KMT2A (0.45) MAPTHTTLMNAKDM4EKMT2A
SCHEMBL2950908 0.80 KMT2A (0.45) MAPTHTTLMNAKDM4EKMT2A
SCHEMBL2947767 0.78 KMT2A (0.44) ALDH1A1MAPTHTTLMNANPSR1

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 6 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

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 ALDH1A1 1008/4885MAPT 645/4885HTT 1037/4885

“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.