SCHEMBL2955256

SCHEMBL2955256

Cc1cccc(C)c1-c1nc2c(C(=O)O)cccc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.49
TOP2A P11388 2/20 0.48
IDO1 P14902 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
FABP4 P15090 1/20 0.41
AGPAT2 O15120 1/20 0.41
DHODH Q02127 1/20 0.40
HTR3A P46098 1/20 0.40
CEPT1 Q9Y6K0 1/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.39
ACLY P53396 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL29885350 0.86 TOP2A (0.60) MYCTOP2AIDO1MAOAMAOB
SCHEMBL14367752 0.86 TOP2A (0.60) MYCTOP2AIDO1MAOAMAOB
SCHEMBL3401507 0.85 TOP2A (0.58) MYCTOP2AIDO1MAOAMAOB
SCHEMBL2961898 0.82 FTO (0.46) TOP2AIDO1MAOAMAOBALDH1A1
SCHEMBL440072 0.82 DHODH (0.49) TOP2AIDO1MAOAMAOBALDH1A1
SCHEMBL440239 0.82 JAK2 (0.51) TOP2AIDO1MAOAMAOBALDH1A1
SCHEMBL28926584 0.81 TOP2A (0.59) TOP2AIDO1MAOAMAOBALDH1A1
SCHEMBL496431 0.81 MAOB (0.49) MYCTOP2AIDO1MAOAMAOB
SCHEMBL206232 0.81 TOP2A (0.56) TOP2AIDO1MAOAMAOBALDH1A1
SCHEMBL121325 0.80 TOP2A (0.65) TOP2AIDO1MAOAMAOBALDH1A1

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-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
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 MYC 4248/4885TOP2A 1421/4885IDO1 573/4885
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D HTR3E, BRS3, HTR3A MYC 4248/4885TOP2A 1421/4885IDO1 573/4885

“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.