SCHEMBL6527883

SCHEMBL6527883

C=CCN(CC=C)c1cccc(C(=O)O)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.50
CASP7 P55210 1/20 0.50
CASP6 P55212 1/20 0.50
MMP2 P08253 1/20 0.39
PTPN1 P18031 3/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.35
KMT2A Q03164 2/20 0.35
NAPRT Q6XQN6 1/20 0.34
HMGB1 P09429 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HIF1A Q16665 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CDC25B P30305 1/20 0.34
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 1/20 0.33
AGTR1 P30556 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
SCHEMBL278676 0.83 PTPN1 (0.47) PTPN1ALDH1A1TSHRALOX15KMT2A
SCHEMBL11333394 0.83 PTPN1 (0.37) PTPN1ALDH1A1TSHRALOX15KMT2A
Hydrochloric Acid SCHEMBL27897977 0.82 PTPN1 (0.46) PTPN1ALDH1A1TSHRALOX15KMT2A
SCHEMBL458514 0.81 TSHR (0.41) PTPN1ALDH1A1TSHRHSD17B10ALOX15
SCHEMBL11587536 0.79 PTPN1 (0.38) PTPN1ALDH1A1TSHRHSD17B10ALOX15
SCHEMBL7780416 0.79 G6PD (0.55) G6PDCASP7CASP6MMP2ALDH1A1
SCHEMBL10346380 0.78 ALDH1A1 (0.41) G6PDCASP7CASP6MMP2ALDH1A1
SCHEMBL11767364 0.78 AKR1C3 (0.44) PTPN1ALDH1A1TSHRHSD17B10ALOX15
SCHEMBL11767370 0.78 AKR1C3 (0.45) PTPN1ALDH1A1TSHRALOX15KDM4E
SCHEMBL1452696 0.77 KMT2A (0.50) PTPN1ALDH1A1TSHRHSD17B10ALOX15

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 8 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
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 G6PD 711/4885CASP7 1934/4885CASP6 1597/4885
US-20050032793-A1 2-amino-benzoxazinones for the treatment of viral infections IFNAR1, IL4I1, ACE2 G6PD 1049/4885CASP7 1963/4885CASP6 2359/4885

“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.