SCHEMBL1004896

SCHEMBL1004896

Nc1nc2c(C(=O)O)ccc(F)c2o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRA4 P48169 2/20 0.39
GABRE P78334 2/20 0.39
GABRA6 Q16445 2/20 0.39
GABRG1 Q8N1C3 2/20 0.39
GABRG3 Q99928 2/20 0.39
GABRQ Q9UN88 2/20 0.39
RARA P10276 5/20 0.36
RARB P10826 5/20 0.36
RARG P13631 5/20 0.36
KEAP1 Q14145 2/20 0.36

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
SCHEMBL288526 0.74 NUDT1 (0.41) RARARARBRARGALDH1A1MAPT
SCHEMBL1005920 0.72 MAPT (0.37) PIM1DHODHIDO1MAOAMAOB
SCHEMBL3990631 0.71 MAOB (0.56) ALDH1A1DHODHIDO1MAOAMAOB
SCHEMBL1005909 0.69 KEAP1 (0.42) KEAP1NFE2L2ALDH1A1NPC1RAB9A
SCHEMBL6754768 0.69 CES2 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL5260757 0.67 CES2 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL288312 0.67 NUDT1 (0.41) RARARARBRARGMAPTCYP1A2
SCHEMBL288311 0.67 RPS6KA2 (0.33) MAPTCYP1A2
SCHEMBL25924023 0.67 ELANE (0.39)
SCHEMBL1007566 0.66 KCNH2 (0.52) KEAP1NFE2L2ALDH1A1DHODHIDO1

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 GABRP 247/4885GABRD 264/4885GABRA1 631/4885

“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.