SCHEMBL2957810

SCHEMBL2957810

COc1ccc(C2CCCCC2)cc1-c1csc(NC(=O)NN2CCN(C(=O)C3CCCCN3C)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNQ1 P51787 11/20 0.40
MAPT P10636 6/20 0.40
HTT P42858 3/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
CPT1A P50416 1/20 0.37

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
SCHEMBL13198804 0.91 MAPT (0.42) KCNQ1MAPTHTTLMNAKDM4E
SCHEMBL2957792 0.87 ACHE (0.43) MAPTHTTLMNAKDM4EALDH1A1
SCHEMBL2948289 0.86 TLR9 (0.42) MAPTHTTLMNAKDM4EALDH1A1
SCHEMBL28766857 0.85 KCNQ1 (0.47) KCNQ1MAPTHTTLMNAALDH1A1
SCHEMBL2957660 0.84 CPT1A (0.41) MAPTHTTLMNAKDM4EALDH1A1
SCHEMBL2960067 0.84 KMT2A (0.40) MAPTHTTLMNAKDM4EALDH1A1
SCHEMBL2953795 0.81 KMT2A (0.39) MAPTHTTLMNAKDM4EALDH1A1
SCHEMBL2953799 0.81 KMT2A (0.39) MAPTHTTLMNAKDM4EALDH1A1
SCHEMBL2960057 0.80 MAPT (0.44) MAPTHTTLMNAKDM4EALDH1A1
SCHEMBL2959697 0.80 CCNT1 (0.38) MAPTHTTLMNAKDM4EALDH1A1

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 KCNQ1 529/4885MAPT 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.