SCHEMBL1005764

SCHEMBL1005764

COc1ccc(Nc2nc3c(C(=O)O)cccc3o2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
RAB9A P51151 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
NPC1 O15118 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.47
AKR1C3 P42330 3/20 0.47
AKR1C2 P52895 3/20 0.47
GAA P10253 2/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
GSK3B P49841 2/20 0.44
TOP2A P11388 1/20 0.44
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
HTR3A P46098 1/20 0.43
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
MAOB P27338 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL1007687 0.90 TOP2A (0.49) ALDH1A1RAB9ANPSR1NPC1HTT
SCHEMBL1005268 0.86 NPC1 (0.54) ALDH1A1RAB9ANPSR1NPC1SMN1; SMN2
SCHEMBL1003659 0.82 NPC1 (0.43) ALDH1A1RAB9ANPSR1NPC1SMN1; SMN2
SCHEMBL1003521 0.81 TOP2A (0.58) ALDH1A1RAB9ANPSR1NPC1SMN1; SMN2
SCHEMBL30194832 0.80 SMN1; SMN2 (0.52) ALDH1A1RAB9ANPC1SMN1; SMN2GAA
SCHEMBL2957072 0.80 TOP2A (0.59) ALDH1A1RAB9ANPSR1NPC1SMN1; SMN2
SCHEMBL1004979 0.80 KMT2A (0.49) ALDH1A1RAB9ANPC1SMN1; SMN2AKR1C3
SCHEMBL1005664 0.77 HTR3A (0.54) ALDH1A1TOP2AHTR3AMAOBKDM4E
SCHEMBL1004385 0.77 TOP2A (0.50) ALDH1A1RAB9ANPSR1NPC1SMN1; SMN2
SCHEMBL1006456 0.76 HTR3A (0.75) 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 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 ALDH1A1 3092/4885RAB9A 3017/4885NPSR1 88/4885

“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.