SCHEMBL5509910

SCHEMBL5509910

CNc1cc2c(cc1F)C(=O)N(c1ccc([N+](=O)[O-])cc1)CO2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.36
ALDH1A1 P00352 6/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
SCN2A Q99250 1/20 0.36
POLB P06746 1/20 0.36
SLC6A9 P48067 1/20 0.35
SLC6A5 Q9Y345 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
CASP3 P42574 2/20 0.34
CASP1 P29466 1/20 0.34
CASP4 P49662 1/20 0.34
CASP7 P55210 1/20 0.34
CASP9 P55211 1/20 0.34
CASP6 P55212 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL5508948 0.87 POLB (0.44) MAPTALDH1A1KMT2AMEN1SCN2A
SCHEMBL5511162 0.87 SCN2A (0.36) MAPTALDH1A1KMT2ASCN2ARECQL
SCHEMBL5999601 0.86 HPGD (0.40) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL5511797 0.86 MAPK14 (0.34) ALDH1A1HSD17B10CASP1CASP7
SCHEMBL12768203 0.86 TSHR (0.38) ALDH1A1HSD17B10LMNAGAACASP1
SCHEMBL5513585 0.83 KMT2A (0.40) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL12768201 0.83 ALDH1A1 (0.32) ALDH1A1LMNASMN1; SMN2
SCHEMBL14522043 0.82 F10 (0.33) GAA
SCHEMBL14522062 0.81 FAAH (0.37) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL5513494 0.81 POLB (0.41) MAPTALDH1A1KMT2AMEN1SCN2A

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
EP-1812429-A2 SUBSTITUTED 2H-1,3-BENZOXAZIN-4(3H)-ONES Portola Pharmaceuticals, Inc. (US) 2007-08-01 EP disclosed
US-7205296-B2 Substituted 2H-1,3-benzoxazin-4(3H)-ones PORTOLA PHARMACEUTICALS, INC. (US) 2007-04-17 US disclosed
US-7205296-B2 Substituted 2H-1,3-benzoxazin-4(3H)-ones PORTOLA PHARMACEUTICALS, INC. (US) 2007-04-17 US disclosed
US-7205296-B2 Substituted 2H-1,3-benzoxazin-4(3H)-ones PORTOLA PHARMACEUTICALS, INC. (US) 2007-04-17 US disclosed
WO-2006039212-A2 SUBSTITUTED 2H-1,3-BENZOXAZIN-4(3H)-ONES PORTOLA PHARMACEUTICALS, INC. (US) 2006-04-13 WO disclosed
US-20060069093-A1 Substituted 2H-1,3-benzoxazin-4(3H)-ones PORTOLA PHARMACEUTICALS, INC. (US) 2006-03-30 US 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-20060069093-A1 Substituted 2H-1,3-benzoxazin-4(3H)-ones TBXAS1, TBXA2R, SERPINC1 MAPT 4809/4885ALDH1A1 704/4885KMT2A 2169/4885

“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.