SCHEMBL5511798

SCHEMBL5511798

COc1cc([N+](=O)[O-])ccc1N1COc2cc(F)c(F)cc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.44
ALDH1A1 P00352 5/20 0.42
MAPT P10636 4/20 0.42
MAPK1 P28482 3/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 2/20 0.42
MITF O75030 1/20 0.42
KMT2A Q03164 4/20 0.41
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 2/20 0.39
PKM P14618 2/20 0.39
WDR5 P61964 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL5513585 0.91 KMT2A (0.40) HTTALDH1A1MAPTMAPK1LMNA
SCHEMBL14522051 0.84 CHRNB2 (0.40) ALDH1A1MAPTLMNARAB9AMITF
SCHEMBL14522046 0.84 ALDH1A1 (0.38) ALDH1A1MAPTLMNASMN1; SMN2RAB9A
SCHEMBL5508948 0.79 POLB (0.44) ALDH1A1MAPTMAPK1LMNASMN1; SMN2
SCHEMBL14522052 0.77 CHRNB2 (0.37) ALDH1A1MAPTRAB9AMITFKMT2A
SCHEMBL5514405 0.76 EGFR (0.35) HTTALDH1A1MAPTMAPK1LMNA
SCHEMBL5508145 0.71 HPGD (0.47) ALDH1A1MAPTLMNARAB9AKMT2A
SCHEMBL5375674 0.71 NR1H4 (0.55) HTTALDH1A1MAPTMAPK1LMNA
SCHEMBL5513494 0.70 POLB (0.41) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL15540847 0.70 ALDH1A1 (0.58) HTTALDH1A1MAPTMAPK1LMNA

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-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
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 HTT 2260/4885ALDH1A1 704/4885MAPT 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.