SCHEMBL2959697

SCHEMBL2959697

COc1ccc(C2CCCCC2)cc1-c1csc(NC(=O)NN2CCN(C3CCCNC3)CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
KMT2A Q03164 10/20 0.38
MEN1 O00255 8/20 0.38
MAPT P10636 7/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 2/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 1/20 0.37
TYR P14679 1/20 0.36
MAPK1 P28482 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
SCHEMBL2960067 0.88 KMT2A (0.40) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL4657434 0.87 CCNT1 (0.37) CCNT1CDK9KMT2AMEN1MAPT
SCHEMBL2953761 0.85 KMT2A (0.37) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL2957792 0.83 ACHE (0.43) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL2959716 0.83 KMT2A (0.43) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL4660857 0.81 KMT2A (0.38) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL2957660 0.81 CPT1A (0.41) CCNT1CDK9KMT2AMEN1MAPT
SCHEMBL2957810 0.80 KCNQ1 (0.40) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL2954806 0.80 KMT2A (0.33) CCNT1CDK9KMT2AMEN1MAPT
SCHEMBL2948289 0.79 TLR9 (0.42) KMT2AMEN1MAPTALDH1A1HTT

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 2 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
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 CCNT1 365/4885CDK9 2746/4885KMT2A 1446/4885

“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.