SCHEMBL6496848

SCHEMBL6496848

O=c1[nH]oc2ccc([N+](=O)[O-])cc2c1=O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.51
▸ CA12 O43570 2/20 0.50
▸ CA9 Q16790 2/20 0.50
▸ KDM1A O60341 1/20 0.48
▸ PARP1 P09874 3/20 0.46
▸ DAO P14920 1/20 0.45
▸ AKR1C3 P42330 1/20 0.45
▸ AKR1C2 P52895 1/20 0.45
▸ CTSV O60911 1/20 0.44
▸ CTSL P07711 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ GRIA1 P42261 1/20 0.44
▸ GRIA2 P42262 1/20 0.44
▸ GRIA3 P42263 1/20 0.44
▸ GRIA4 P48058 1/20 0.44
▸ GABRP O00591 1/20 0.43
▸ GABRD O14764 1/20 0.43
▸ GABRA1 P14867 1/20 0.43
▸ GABRB1 P18505 1/20 0.43
▸ GABRG2 P18507 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
SCHEMBL29705824 0.90 PARP1 (0.49) PTPN1CA12CA9PARP1DAO
SCHEMBL28801159 0.90 PARP1 (0.49) PTPN1CA12CA9PARP1DAO
SCHEMBL9189119 0.78 KDM1A (0.61) PTPN1CA12CA9KDM1APARP1
SCHEMBL11514807 0.73 PTPN1 (0.46) PTPN1DAOALDH1A1GABRPGABRD
SCHEMBL11583007 0.71 PTPN1 (0.45) PTPN1DAOALDH1A1GABRPGABRD
SCHEMBL6524056 0.71 MAPT (0.69) PTPN1CA12CA9KDM1APARP1
SCHEMBL3813431 0.71 PARP1 (0.54) PTPN1CA12CA9KDM1APARP1
SCHEMBL9338329 0.70 CA12 (0.51) PTPN1CA12CA9KDM1APARP1
SCHEMBL1166470 0.70 PTPN1 (0.54) PTPN1CA12CA9KDM1AALDH1A1
SCHEMBL9187037 0.70 KDM1A (0.53) PTPN1CA12CA9KDM1AGABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-0828721-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1998-03-18 — — EP 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 (2 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 PTPN1 1621/4885CA12 3354/4885CA9 3635/4885
US-20050032793-A1 2-amino-benzoxazinones for the treatment of viral infections IFNAR1, IL4I1, ACE2 PTPN1 2246/4885CA12 3435/4885CA9 4036/4885

“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.

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