SCHEMBL12332829

SCHEMBL12332829

CCNCc1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.54
PKM P14618 1/20 0.54
ALDH1A1 P00352 8/20 0.48
MAPT P10636 6/20 0.48
PARP1 P09874 2/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 8/20 0.43
KDM4E B2RXH2 6/20 0.43
MEN1 O00255 5/20 0.43
HPGD P15428 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 2/20 0.41
G6PD P11413 2/20 0.41
NPSR1 Q6W5P4 2/20 0.40
HSD17B10 Q99714 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL6768315 0.82 GAA (0.58) GAAPKMALDH1A1MAPTPARP1
SCHEMBL5393113 0.80 GAA (0.59) GAAPKMALDH1A1MAPTHTT
SCHEMBL2056376 0.80 GAA (0.63) GAAPKMALDH1A1MAPTHTT
SCHEMBL8190150 0.79 GAA (0.58) GAAPKMALDH1A1MAPTKMT2A
SCHEMBL13303940 0.75 GAA (0.68) GAAPKMALDH1A1MAPTKMT2A
SCHEMBL6763547 0.74 TSHR (0.56) GAAPKMALDH1A1MAPTKMT2A
SCHEMBL6773048 0.74 GAA (0.49) GAAPKMALDH1A1MAPTKMT2A
SCHEMBL6766026 0.74 ALDH1A1 (0.56) GAAPKMALDH1A1MAPTHTT
SCHEMBL6773336 0.74 TSHR (0.58) GAAPKMALDH1A1MAPTHTT
SCHEMBL6763596 0.73 MAPT (0.63) GAAPKMALDH1A1MAPTHTT

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-20110230465-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-09-22 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-20110230465-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E GAA 1558/4885PKM 3668/4885ALDH1A1 1625/4885

“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.