SCHEMBL6497834

SCHEMBL6497834

Cc1cccc(NC(=O)NCCc2ccc(Br)cc2)c1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
FPR2 P25090 2/20 0.50
CNR1 P21554 1/20 0.50
MEN1 O00255 2/20 0.48
ITGB3 P05106 2/20 0.47
ITGAV P06756 2/20 0.47
KDM4E B2RXH2 1/20 0.46
TRPV1 Q8NER1 2/20 0.45
ALDH1A1 P00352 2/20 0.44
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ITGB1 P05556 1/20 0.43
ITGA5 P08648 1/20 0.43

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
SCHEMBL6807680 0.90 KMT2A (0.64) KMT2ACNR1MEN1ITGB3ITGAV
SCHEMBL6496672 0.88 KMT2A (0.52) KMT2AFPR2MEN1ITGB3ITGAV
SCHEMBL6498315 0.88 KMT2A (0.52) KMT2AFPR2CNR1MEN1ITGB3
SCHEMBL6498395 0.84 CNR1 (0.54) KMT2ACNR1MEN1KDM4EALDH1A1
SCHEMBL27493374 0.79 MAOA (0.57) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL6497268 0.77 ITGB3 (0.53) KMT2AMEN1ITGB3ITGAVKDM4E
SCHEMBL6505482 0.74 TRPV1 (0.56) CNR1KDM4ETRPV1ALDH1A1LMNA
SCHEMBL25303812 0.73 CNR1 (0.66) KMT2AFPR2CNR1KDM4EPLAAT3
SCHEMBL5394390 0.73 TRPV1 (0.57) FPR2CNR1TRPV1
SCHEMBL250873 0.72 PLAAT3 (0.58) KMT2AFPR2CNR1KDM4EALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2005-06-30 US disclosed
US-20050032793-A1 2-amino-benzoxazinones for the treatment of viral infections G.D. SEARLE & CO. (US) 2005-02-10 US disclosed
US-6683077-B2 4H-3,1-BENZOXAZIN-4-ONE COMPOUNDS OF GIVEN FORMULA; HERPES INFECTIONS; ASSEMBLIN PROTEASE INHIBITORS G.D. SEARLE & CO. 2004-01-27 US disclosed
US-20030022895-A1 2-Amino-benzoxazinones for the treatment of viral infections G.D. SEARLE & CO. 2003-01-30 US disclosed
US-6380189-B1 FOR TREATING HERPES-RELATED DISORDERS G.D. SEARLE & CO. 2002-04-30 US disclosed
EP-0828721-B1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS SEARLE & CO (US) 2001-11-14 EP disclosed
CN-1070480-C 2-amino-benzoxanones for the treatment of viral infections SEARLE & CO (US) 2001-09-05 CN disclosed
EP-1122245-A2 2-Amino-benzoxazinones for the treatment of viral infections G.D. Searle & Co. (US) 2001-08-08 EP disclosed
US-5985872-A THERAPEUTIC TREATMENT OF HERPES VIRAL INFECTION G.D. SEARLE & CO. (US) 1999-11-16 US disclosed
WO-1996037485-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1996-11-28 WO 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 (3 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-20030022895-A1 2-Amino-benzoxazinones for the treatment of viral infections IFNAR1, IL4I1, HAX1 KMT2A 1555/4885FPR2 1584/4885CNR1 514/4885
US-20050032793-A1 2-amino-benzoxazinones for the treatment of viral infections IFNAR1, IL4I1, ACE2 KMT2A 1859/4885FPR2 1508/4885CNR1 592/4885
US-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor CCR8, CCL11, CCR5 KMT2A 4477/4885FPR2 106/4885CNR1 59/4885

“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.