SCHEMBL1005664

SCHEMBL1005664

CNc1nc2c(C(=O)O)cccc2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.54
TOP2A P11388 2/20 0.46
MAOB P27338 2/20 0.46
IDO1 P14902 1/20 0.46
MAOA P21397 1/20 0.46
ELANE P08246 3/20 0.43
ALDH1A1 P00352 1/20 0.42
GALK1 P51570 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA3 P07451 1/20 0.37
TSHR P16473 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
GPR35 Q9HC97 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 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
SCHEMBL1005701 0.85 TOP2A (0.56) HTR3ATOP2AELANEALDH1A1TSHR
SCHEMBL3982633 0.84 HTR3A (0.56) HTR3ATOP2AMAOBIDO1MAOA
SCHEMBL1005268 0.82 NPC1 (0.54) HTR3ATOP2AMAOBIDO1MAOA
SCHEMBL496431 0.79 MAOB (0.49) TOP2AMAOBIDO1MAOAELANE
SCHEMBL1003659 0.79 NPC1 (0.43) HTR3ATOP2AMAOBIDO1MAOA
SCHEMBL1008152 0.78 TOP2A (0.45) HTR3ATOP2AMAOBIDO1MAOA
SCHEMBL7589953 0.78 MAOB (0.48) TOP2AMAOBIDO1MAOAALDH1A1
SCHEMBL1006835 0.77 HTR3A (0.41) HTR3ATOP2AMAOBIDO1MAOA
SCHEMBL1003671 0.77 HTR3A (0.41) HTR3ATOP2AMAOBIDO1MAOA
Hydrochloric Acid SCHEMBL1004329 0.77 HTR3A (0.41) HTR3ATOP2AMAOBIDO1MAOA

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 5 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
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 323/4885MAOB 91/4885

“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.