SCHEMBL3337722

SCHEMBL3337722

N#Cc1ccc(CNC(=O)c2ccc3c(c2)[nH]c(=O)c2c(Cl)cc(Cl)n23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 1/20 0.46
PARP1 P09874 1/20 0.45
EPHX2 P34913 3/20 0.44
DRD2 P14416 2/20 0.43
DRD3 P35462 1/20 0.43
EGLN2 Q96KS0 1/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
HDAC1 Q13547 2/20 0.40
AKR1B1 P15121 1/20 0.40
KDM1A O60341 1/20 0.40
PPARA Q07869 1/20 0.40
ABCB1 P08183 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
B3GNT2 Q9NY97 1/20 0.39
POLB P06746 1/20 0.39
PPARG P37231 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC11 Q96DB2 1/20 0.39

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
SCHEMBL3342121 0.86 BRPF1 (0.49) BRPF1PARP1EPHX2DRD2DRD3
SCHEMBL3344069 0.79 PARP1 (0.42) BRPF1PARP1EPHX2ROCK2PPARG
SCHEMBL3338476 0.73 PARP1 (0.47) PARP1POLB
SCHEMBL3339022 0.72 PARP1 (0.54) BRPF1PARP1EPHX2PPARGHSP90AA1
SCHEMBL3336666 0.71 PARP1 (0.66) BRPF1PARP1ROCK2
SCHEMBL3338853 0.70 BRPF1 (0.49) BRPF1PARP1EPHX2HDAC1B3GNT2
Trifluoroacetic Acid SCHEMBL3339735 0.69 PARP1 (0.48) PARP1DRD2HDAC8HDAC6
Trifluoroacetic Acid SCHEMBL3339072 0.69 PARP1 (0.54) PARP1POLB
SCHEMBL6193263 0.67 NR1H4 (0.47) EPHX2DRD2DRD3ROCK2ROCK1
SCHEMBL15606119 0.67 EPHX2 (0.53) EPHX2DRD2DRD3ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152180-A1 4-oxo-4,5-dihydropyrrolo[1,2-A)quinoxaline derivatives as inhibitors of poly(ADP-ribose) polymerase (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-06-17 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-20100152180-A1 4-oxo-4,5-dihydropyrrolo[1,2-A)quinoxaline derivatives as inhibitors of poly(ADP-ribose) polymerase (PARP) PARP1, PARP2, PARP4 BRPF1 2845/4885PARP1 1/4885EPHX2 4148/4885

“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.