SCHEMBL5513585

SCHEMBL5513585

CNc1cc2c(cc1F)C(=O)N(c1ccc([N+](=O)[O-])cc1OC)CO2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
HTT P42858 3/20 0.40
MEN1 O00255 2/20 0.40
PKM P14618 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 2/20 0.39
WDR5 P61964 1/20 0.39
MITF O75030 1/20 0.37
LMNA P02545 1/20 0.37
F5 P12259 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL5511798 0.91 HTT (0.44) KMT2AHTTMEN1PKMRAB9A
SCHEMBL14522045 0.86 NR4A1 (0.37) KMT2AHTTMEN1RAB9AMAPT
SCHEMBL14522052 0.86 CHRNB2 (0.37) KMT2AMEN1RAB9AMAPTALDH1A1
SCHEMBL5514405 0.85 EGFR (0.35) KMT2AHTTMEN1PKMRAB9A
SCHEMBL5509910 0.83 MAPT (0.36) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL14522051 0.76 CHRNB2 (0.40) KMT2ARAB9AMAPTALDH1A1MITF
SCHEMBL14522046 0.76 ALDH1A1 (0.38) KMT2AMEN1RAB9AMAPTALDH1A1
SCHEMBL5999601 0.75 HPGD (0.40) KMT2AMEN1PKMRAB9AMAPT
SCHEMBL12768203 0.72 TSHR (0.38) PKMRAB9AMAPK1ALDH1A1LMNA
SCHEMBL5511797 0.72 MAPK14 (0.34) RAB9AALDH1A1

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 KMT2A 2169/4885HTT 2260/4885MEN1 3936/4885

“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.