SCHEMBL1006835

SCHEMBL1006835

O=C(O)c1cccc2oc(NCC(F)(F)F)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.41
MAOB P27338 2/20 0.41
IDO1 P14902 1/20 0.41
MAOA P21397 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
TOP2A P11388 2/20 0.39
ALDH1A1 P00352 1/20 0.37
F2 P00734 2/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PCSK9 Q8NBP7 1/20 0.34
GALK1 P51570 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA3 P07451 1/20 0.33

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
SCHEMBL1006138 0.86 TOP2A (0.49) HTR3AKDM4EHPGDTOP2AALDH1A1
SCHEMBL3982633 0.82 HTR3A (0.56) HTR3AMAOBIDO1MAOATOP2A
SCHEMBL1003671 0.79 HTR3A (0.41) HTR3AMAOBIDO1MAOATOP2A
SCHEMBL1005664 0.77 HTR3A (0.54) HTR3AMAOBIDO1MAOAKDM4E
SCHEMBL1008152 0.77 TOP2A (0.45) HTR3AMAOBIDO1MAOAKDM4E
Hydrochloric Acid SCHEMBL1004329 0.76 HTR3A (0.41) HTR3AMAOBIDO1MAOAKDM4E
Hydrochloric Acid SCHEMBL1007973 0.76 HTR3A (0.41) HTR3AMAOBIDO1MAOATOP2A
SCHEMBL1005268 0.75 NPC1 (0.54) HTR3AMAOBIDO1MAOATOP2A
SCHEMBL1006463 0.75 HTR3A (0.43) HTR3AMAOBIDO1MAOAKDM4E
SCHEMBL12928314 0.75 HTR3A (0.78) 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 HTR3A 3/4885MAOB 91/4885IDO1 43/4885

“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.