SCHEMBL5514405

SCHEMBL5514405

CCOC(C)Oc1cc([N+](=O)[O-])ccc1N1COc2cc(NC)c(F)cc2C1=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.35
ALDH1A1 P00352 7/20 0.33
MAPT P10636 4/20 0.33
LMNA P02545 1/20 0.33
CYP19A1 P11511 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 6/20 0.32
SLC6A9 P48067 1/20 0.32
SLC6A5 Q9Y345 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 3/20 0.31
PKM P14618 1/20 0.31
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30

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 0.85 KMT2A (0.40) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL14522052 0.81 CHRNB2 (0.37) EGFRALDH1A1MAPTCYP19A1KMT2A
SCHEMBL5509910 0.77 MAPT (0.36) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL5511798 0.76 HTT (0.44) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL14522046 0.76 ALDH1A1 (0.38) ALDH1A1MAPTLMNACYP19A1SMN1; SMN2
SCHEMBL14522051 0.72 CHRNB2 (0.40) ALDH1A1MAPTLMNACYP19A1KMT2A
SCHEMBL14522048 0.71
SCHEMBL5999601 0.69 HPGD (0.40) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL12768203 0.67 TSHR (0.38) ALDH1A1LMNASMN1; SMN2GAAPKM
SCHEMBL5511797 0.67 MAPK14 (0.34) ALDH1A1RAB9A

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 2 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-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 EGFR 4804/4885ALDH1A1 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.