SCHEMBL5342897

SCHEMBL5342897

C[C@@H]1Oc2ccc(C=O)cc2NC1=O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.57
PDE3B Q13370 3/20 0.49
PDE3A Q14432 3/20 0.49
SMYD3 Q9H7B4 3/20 0.45
MAOB P27338 1/20 0.39
ADORA2A P29274 1/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL532347 1.00 PARP1 (0.57) PARP1PDE3BPDE3ASMYD3MAOB
SCHEMBL5188341 1.00 PARP1 (0.57) PARP1PDE3BPDE3ASMYD3MAOB
SCHEMBL532882 0.88 PARP1 (0.57) PARP1PDE3BPDE3ASMYD3BRD4
SCHEMBL13863089 0.84 PARP1 (0.53) PARP1PDE3BPDE3ASMYD3MAOB
SCHEMBL6998657 0.82 PARP1 (0.59) PARP1PDE3BPDE3ASMYD3MAOB
SCHEMBL531620 0.81 ALDH1A1 (0.38) PARP1PDE3BPDE3AUSP2GAA
SCHEMBL532921 0.81 USP2 (0.48) PARP1USP2GAAHSD17B10
SCHEMBL531954 0.80 ALOX5 (0.55) PARP1PDE3BPDE3ASMYD3GAA
SCHEMBL6999639 0.80 PARP1 (0.49) PARP1PDE3BPDE3ASMYD3ALDH1A1
SCHEMBL7711338 0.80 PARP1 (0.52) PARP1PDE3BPDE3ASMYD3MAOB

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
US-7205295-B2 Benzoxazin-3-ones and derivatives thereof as therapeutic agents WARNER-LAMBERT COMPANY LLC (US) 2007-04-17 US disclosed
EP-1569653-A1 BENZOXAZIN-3-ONES AND DERIVATIVES THEREOF AS INHIBITORS OF PI3K Warner-Lambert Company LLC (US) 2005-09-07 EP disclosed
WO-2004052373-A1 BENZOXAZIN-3-ONES AND DERIVATIVES THEREOF AS INHIBITORS OF PI3K WARNER-LAMBERT COMPANY LLC (US) 2004-06-24 WO disclosed
US-20040121996-A1 Benzoxazin-3-ones and derivatives thereof as therapeutic agents BARVIAN NICOLE (US) 2004-06-24 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-20040121996-A1 Benzoxazin-3-ones and derivatives thereof as therapeutic agents XDH, HAX1, CYP4X1 PARP1 1103/4885PDE3B 1701/4885PDE3A 1913/4885

“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.