SCHEMBL1093692

SCHEMBL1093692

CC(C)(C)OC(=O)NC(CCNc1ncc(Br)cc1[N+](=O)[O-])C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 1/20 0.42
GSTP1 P09211 1/20 0.40
GSTM2 P28161 1/20 0.40
AAK1 Q2M2I8 5/20 0.38
TDP1 Q9NUW8 4/20 0.36
ATM Q13315 2/20 0.36
MAPT P10636 2/20 0.36
CTSS P25774 2/20 0.36
CTSK P43235 2/20 0.36
CTSB P07858 1/20 0.36
POLB P06746 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BCL2 P10415 4/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MCL1 Q07820 1/20 0.34

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
SCHEMBL1094204 0.92 PPARA (0.40) P2RY2GSTP1GSTM2AAK1CTSS
SCHEMBL1094206 0.92 PPARA (0.40) P2RY2GSTP1GSTM2AAK1CTSS
SCHEMBL1092885 0.84 P2RY2 (0.44) P2RY2AAK1TDP1ATMMAPT
SCHEMBL857380 0.78 AAK1 (0.42) AAK1TDP1MAPTPOLBALDH1A1
SCHEMBL5111154 0.78 AAK1 (0.39) GSTP1GSTM2AAK1MAPTPOLB
SCHEMBL18172308 0.77 GLA (0.41) AAK1TDP1MAPTPOLBALDH1A1
SCHEMBL1093294 0.76 AAK1 (0.43) P2RY2AAK1CTSSCTSKCTSB
SCHEMBL27851760 0.76 AAK1 (0.40) AAK1TDP1MAPTPOLBMEN1
SCHEMBL30250515 0.75 AAK1 (0.44) GSTP1GSTM2AAK1CTSSCTSK
SCHEMBL22468486 0.74 MAPT (0.40) TDP1MAPTPOLBNPSR1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420817-B2 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2013-04-16 US disclosed
US-20120165531-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-06-28 US disclosed
US-8153796-B2 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-04-10 US disclosed
US-20100173929-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-07-08 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 (2 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-20100173929-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof ZDHHC7, CNR2, HDAC3 P2RY2 692/4885GSTP1 702/4885GSTM2 1004/4885
US-20120165531-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof ZDHHC7, CNR2, HDAC3 P2RY2 692/4885GSTP1 702/4885GSTM2 1004/4885

“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.