SCHEMBL5508948

SCHEMBL5508948

O=C1c2cc(F)c(F)cc2OCN1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
SCN2A Q99250 1/20 0.41
MAPT P10636 6/20 0.40
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 3/20 0.39
SIRT6 Q8N6T7 2/20 0.38
ADRB1 P08588 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 2/20 0.36
DPP4 P27487 1/20 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
SCHEMBL5513494 0.90 POLB (0.41) POLBSCN2AMAPTALDH1A1KMT2A
SCHEMBL5509910 0.87 MAPT (0.36) POLBSCN2AMAPTALDH1A1KMT2A
SCHEMBL5508145 0.83 HPGD (0.47) POLBMAPTALDH1A1KMT2ASIRT6
SCHEMBL5508840 0.79 ALDH1A1 (0.44) SCN2AALDH1A1
SCHEMBL5511798 0.79 HTT (0.44) MAPTALDH1A1KMT2ASMN1; SMN2TDP1
SCHEMBL5511162 0.77 SCN2A (0.36) SCN2AMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL12727392 0.75 GRM2 (0.42) POLBMAPTALDH1A1SMN1; SMN2TDP1
SCHEMBL5999601 0.73 HPGD (0.40) POLBMAPTALDH1A1KMT2AL3MBTL1
SCHEMBL14522046 0.73 ALDH1A1 (0.38) POLBMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL14522051 0.73 CHRNB2 (0.40) POLBMAPTALDH1A1KMT2ALMNA

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 POLB 2201/4885SCN2A 2239/4885MAPT 4809/4885

“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.