SCHEMBL1005701

SCHEMBL1005701

CNc1nc2c(C(=O)OC)cccc2o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.56
HTR3A P46098 2/20 0.52
KDM4E B2RXH2 4/20 0.45
ATM Q13315 3/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
ELANE P08246 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
PKN1 Q16512 1/20 0.41
PKN2 Q16513 1/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
CFTR P13569 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
SCHEMBL1005664 0.85 HTR3A (0.54) TOP2AHTR3AKDM4EALDH1A1HPGD
SCHEMBL1005317 0.85 HTR3A (0.54) TOP2AHTR3AKDM4EATMALDH1A1
SCHEMBL1003521 0.83 TOP2A (0.58) TOP2AHTR3AKDM4EATMALDH1A1
SCHEMBL1398896 0.82 TOP2A (0.59) TOP2AKDM4EATMPOLBALDH1A1
SCHEMBL1004385 0.81 TOP2A (0.50) TOP2AHTR3AKDM4EATMALDH1A1
SCHEMBL1004894 0.81 TOP2A (0.50) TOP2AHTR3AKDM4EATMALDH1A1
SCHEMBL1004337 0.81 TOP2A (0.57) TOP2AHTR3AKDM4EATMALDH1A1
SCHEMBL1005898 0.81 TOP2A (0.57) TOP2AKDM4EATMALDH1A1HPGD
SCHEMBL1121666 0.81 TOP2A (0.57) TOP2AKDM4EATMPOLBALDH1A1
SCHEMBL1007687 0.80 TOP2A (0.49) TOP2AKDM4EPOLBALDH1A1KMT2A

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-7863271-B2 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-04 US disclosed
EP-2061460-A2 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS Albany Molecular Research, Inc. (US) 2009-05-27 EP disclosed
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-10-16 US disclosed
WO-2008019372-A2 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS ALBANY MOLECULAR RESEARCH, INC. (US) 2008-02-14 WO 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-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A TOP2A 323/4885HTR3A 3/4885KDM4E 2017/4885

“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.