SCHEMBL5511162

SCHEMBL5511162

CNc1cc2c(cc1Cl)C(=O)N(c1ccc([N+](=O)[O-])cc1)CO2

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 1/20 0.36
KAT2B Q92831 1/20 0.36
ALDH1A1 P00352 4/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 4/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
EGFR P00533 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AMY1A P0DUB6 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL5510401 0.87 LRRK2 (0.35) ALDH1A1HSD17B10MAPTNPC1LMNA
SCHEMBL5509910 0.87 MAPT (0.36) SCN2AALDH1A1RECQLHSD17B10MAPT
SCHEMBL5513494 0.83 POLB (0.41) SCN2AKAT2BALDH1A1MAPTKMT2A
SCHEMBL5508948 0.77 POLB (0.44) SCN2AALDH1A1MAPTKMT2ALMNA
SCHEMBL5511797 0.74 MAPK14 (0.34) ALDH1A1HSD17B10NPC1
SCHEMBL5999601 0.74 HPGD (0.40) ALDH1A1MAPTKMT2ANPC1LMNA
SCHEMBL5513585 0.71 KMT2A (0.40) ALDH1A1MAPTKMT2ALMNACYP2C9
SCHEMBL5510340 0.71 P2RY12 (0.50) ALDH1A1RECQLMAPTKMT2ALMNA
SCHEMBL12768201 0.70 ALDH1A1 (0.32) ALDH1A1LMNASMN1; SMN2
SCHEMBL14522043 0.69 F10 (0.33) GAA

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 SCN2A 2239/4885KAT2B 1867/4885ALDH1A1 704/4885

“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.