SCHEMBL5513494

SCHEMBL5513494

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
SCN2A Q99250 1/20 0.38
KAT2B Q92831 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
GAA P10253 1/20 0.37
PMM2 O15305 1/20 0.36
MPI P34949 1/20 0.36
PHOSPHO1 Q8TCT1 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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 0.90 POLB (0.44) POLBSCN2ASMN1; SMN2LMNAMAPT
SCHEMBL5511162 0.83 SCN2A (0.36) SCN2AKAT2BSMN1; SMN2LMNAMAPT
SCHEMBL5509910 0.81 MAPT (0.36) POLBSCN2ASMN1; SMN2LMNAMAPT
SCHEMBL5508145 0.74 HPGD (0.47) POLBLMNAMAPTALDH1A1KMT2A
SCHEMBL5511798 0.70 HTT (0.44) SMN1; SMN2LMNAMAPTALDH1A1KMT2A
SCHEMBL5508840 0.70 ALDH1A1 (0.44) SCN2AALDH1A1
SCHEMBL5510401 0.68 LRRK2 (0.35) SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL5999601 0.68 HPGD (0.40) POLBLMNAMAPTALDH1A1KMT2A
SCHEMBL12727392 0.67 GRM2 (0.42) POLBSMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL12768203 0.65 TSHR (0.38) SMN1; SMN2LMNAALDH1A1GAA

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 2239/4885KAT2B 1867/4885

“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.