SCHEMBL2961217

SCHEMBL2961217

COc1ccc(C(F)(F)C(F)(F)F)cc1-c1csc(NC(=O)NN2CCN(CCN3CCCC3)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.43
MEN1 O00255 9/20 0.43
ACHE P22303 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 8/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RXFP1 Q9HBX9 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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 0.82 ACHE (0.43) KMT2AMEN1ACHENPC1MAPT
SCHEMBL13198982 0.80 MAPT (0.43) KMT2AMEN1NPC1MAPTHTT
SCHEMBL2957637 0.80 KMT2A (0.45) KMT2AMEN1ACHENPC1MAPT
SCHEMBL13199017 0.77 ROCK1 (0.42) KMT2AMEN1NPC1MAPTHTT
SCHEMBL2960046 0.76 KMT2A (0.47) KMT2AMEN1NPC1MAPTHTT
SCHEMBL2959953 0.76 KMT2A (0.44) KMT2AMEN1ACHEMAPTHTT
SCHEMBL2961641 0.75 KMT2A (0.45) KMT2AMEN1ACHENPC1MAPT
SCHEMBL2961877 0.75 KMT2A (0.45) KMT2AMEN1ACHENPC1MAPT
SCHEMBL2950908 0.75 KMT2A (0.45) KMT2AMEN1ACHENPC1MAPT
SCHEMBL2961585 0.75 ROCK1 (0.47) 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 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 KMT2A 1446/4885MEN1 990/4885ACHE 275/4885

“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.