SCHEMBL2963423

SCHEMBL2963423

COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
COMT P21964 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.41
ABL1 P00519 1/20 0.41
LMNA P02545 4/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK4 Q16654 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
MAPT P10636 3/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL3667323 0.88 COMT (0.44) SMN1; SMN2COMTMEN1KMT2ATDP1
SCHEMBL9076418 0.86 SMN1; SMN2 (0.46) SMN1; SMN2COMTMEN1KMT2ATDP1
SCHEMBL305861 0.84 MEN1 (0.49) SMN1; SMN2COMTMEN1KMT2ATDP1
SCHEMBL31430616 0.84 GAA (0.47) SMN1; SMN2COMTMEN1KMT2AKDM4E
SCHEMBL27483315 0.84 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2ATDP1LMNA
SCHEMBL1553222 0.83 TDP1 (0.51) SMN1; SMN2COMTMEN1KMT2ATDP1
SCHEMBL4175674 0.82 KMT2A (0.40) SMN1; SMN2MEN1KMT2ALMNACA12
SCHEMBL7404251 0.81 GAA (0.49) SMN1; SMN2MEN1KMT2ATDP1KDM4E
SCHEMBL31156079 0.81 SMN1; SMN2 (0.41) SMN1; SMN2COMTMEN1KMT2ATDP1
SCHEMBL3968706 0.81 SMN1; SMN2 (0.41) SMN1; SMN2COMTMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781430-B2 Benzoxazole carboxamides for treating CINV and IBS-D ALBANY MOLECULAR RESEARCH, INC. (US) 2010-08-24 US disclosed
US-20080108609-A1 Benzoxazole Carboxamides For Treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2008-05-08 US disclosed
CN-101160307-A Benzoxazole carboxamides for the treatment of CINV and IBS-D AMR TECHNOLOGY INC (US) 2008-04-09 CN disclosed
US-7307094-B2 Benzoxazole carboxamides for treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2007-12-11 US disclosed
EP-1853597-A1 BENZOXAZOLE CARBOXAMIDES FOR TREATING CINV AND IBS-D AMR Technology, Inc. (US) 2007-11-14 EP disclosed
WO-2006089100-A1 BENZOXAZOLE CARBOXAMIDES FOR TREATING CINV AND IBS-D AMR TECHNOLOGY, INC. (US) 2006-08-24 WO disclosed
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2006-08-17 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-20080108609-A1 Benzoxazole Carboxamides For Treating CINV and IBS-D HTR3E, BRS3, HTR3A SMN1; SMN2 4403/4885COMT 2426/4885MEN1 1578/4885
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D HTR3E, BRS3, HTR3A SMN1; SMN2 4403/4885COMT 2426/4885MEN1 1578/4885

“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.