SCHEMBL1006463

SCHEMBL1006463

COCCCNc1nc2c(C(=O)O)cccc2o1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.43
TOP2A P11388 2/20 0.43
HPGD P15428 3/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 2/20 0.39
KCNH3 Q9ULD8 1/20 0.39
IDO1 P14902 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ELANE P08246 1/20 0.38
TP53 P04637 1/20 0.38
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL1008152 0.93 TOP2A (0.45) HTR3ATOP2AMAPK1ALDH1A1KDM4E
SCHEMBL1006044 0.91 TOP2A (0.48) HTR3ATOP2AHPGDALDH1A1KDM4E
SCHEMBL1003671 0.85 HTR3A (0.41) HTR3ATOP2AALDH1A1KCNH3IDO1
SCHEMBL1004894 0.83 TOP2A (0.50) HTR3ATOP2AHPGDALDH1A1KDM4E
SCHEMBL3982633 0.81 HTR3A (0.56) HTR3ATOP2AMAPK1ALDH1A1SMN1; SMN2
SCHEMBL1006045 0.80 ELANE (0.37) ALDH1A1KDM4EHSD17B10KMT2AKCNH3
SCHEMBL1005709 0.80 TOP2A (0.49) HTR3ATOP2AHPGDALDH1A1KDM4E
Hydrochloric Acid SCHEMBL1004329 0.80 HTR3A (0.41) HTR3ATOP2AALDH1A1KDM4EHSD17B10
SCHEMBL1005053 0.78 HTR3A (0.66) HTR3A
Hydrochloric Acid SCHEMBL1006636 0.77 HTR3A (0.65) HTR3A

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
CN-101528225-B 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RES INC 2013-07-17 CN disclosed
US-7863271-B2 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-04 US disclosed
CN-101528225-A 2-aminobenzoxazole carboxamides as 5HT3 modulators AMR TECHNOLOGY INC (US) 2009-09-09 CN 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 HTR3A 3/4885TOP2A 323/4885HPGD 2452/4885

“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.