SCHEMBL5509909

SCHEMBL5509909

CN(C)CCOc1cc([N+](=O)[O-])ccc1N

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.59
CHRNA4 P43681 1/20 0.59
HTT P42858 1/20 0.58
ROCK2 O75116 1/20 0.50
CYP19A1 P11511 7/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
TDP1 Q9NUW8 4/20 0.49
CYP3A4 P08684 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 2/20 0.45
KCNH2 Q12809 1/20 0.44

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
SCHEMBL30957439 0.90 TDP1 (0.59) CHRNB2CHRNA4HTTROCK2CYP19A1
SCHEMBL6718522 0.90 TDP1 (0.59) CHRNB2CHRNA4HTTROCK2CYP19A1
SCHEMBL11216634 0.86 HTT (0.66) HTTCYP19A1GAATDP1CYP3A4
SCHEMBL11140919 0.86 HTT (0.55) CHRNB2CHRNA4HTTCYP19A1TDP1
SCHEMBL4548252 0.85 CHRNB2 (0.59) CHRNB2CHRNA4HTTCYP19A1KDM4E
SCHEMBL11220987 0.84 HTT (0.64) HTTCYP19A1GAATDP1CYP3A4
SCHEMBL11220203 0.84 HTT (0.64) HTTCYP19A1GAATDP1CYP3A4
SCHEMBL7396303 0.84 CHRNB2 (0.58) CHRNB2CHRNA4CYP19A1KDM4EGAA
SCHEMBL1219905 0.84 CHRNB2 (0.58) CHRNB2CHRNA4HTTCYP19A1KDM4E
SCHEMBL5275797 0.84 CHRNB2 (0.58) CHRNB2CHRNA4HTTCYP19A1KDM4E

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
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
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 CHRNB2 3462/4885CHRNA4 1401/4885HTT 2260/4885

“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.