SCHEMBL2960024

SCHEMBL2960024

O=C(O)c1nc2c(-c3ccccc3)cccc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.49
TOP2A P11388 3/20 0.47
DAGLA Q9Y4D2 1/20 0.43
PTPN1 P18031 1/20 0.41
HNF4A P41235 1/20 0.41
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DHODH Q02127 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 1/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAOB P27338 1/20 0.39
FOLH1 Q04609 1/20 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
SCHEMBL30084620 0.95 NR4A2 (0.42) NR4A2TOP2ADAGLAPTPN1HNF4A
SCHEMBL5243894 0.83 KMT2A (0.44) NR4A2TOP2ADAGLARAB9AALDH1A1
SCHEMBL11462109 0.81 TOP2A (0.42) TOP2ADAGLAPOLBMAPTTSHR
SCHEMBL4791688 0.78 MAOB (0.50) NR4A2TOP2ADAGLATSHRHSD17B10
SCHEMBL27567252 0.78 TOP2A (0.45) TOP2AHNF4AHSD17B10DHODHCYP3A4
SCHEMBL3817775 0.77 AGPAT2 (0.41) NR4A2DAGLAUSP2POLBHTT
SCHEMBL28009417 0.77 IDO1 (0.40) NR4A2DAGLAPTPN1USP2MAPT
SCHEMBL1618212 0.76 TOP2A (0.58) TOP2APOLBTSHRHSD17B10RAB9A
SCHEMBL7567683 0.76 CYP19A1 (0.39) TOP2ADAGLAPOLBMAPTHTT
SCHEMBL3614007 0.75 AGPAT2 (0.41) NR4A2DAGLAUSP2POLBHTT

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 NR4A2 2336/4885TOP2A 1421/4885DAGLA 4724/4885
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D HTR3E, BRS3, HTR3A NR4A2 2336/4885TOP2A 1421/4885DAGLA 4724/4885

“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.