SCHEMBL22800293

SCHEMBL22800293

CCOC(=O)c1ccnn1-c1cccc(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.42
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE4D Q08499 2/20 0.41
POLB P06746 2/20 0.41
PDE4B Q07343 1/20 0.41
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL9681622 0.85 ALDH1A1 (0.57) HTTALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL6162675 0.85 TP53 (0.49) HTTALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL22799840 0.82 KMT2A (0.55) HTTALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL6164214 0.81 NPBWR1 (0.46) HTTALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL14711327 0.80 SLC5A1 (0.48) HTTALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL20274436 0.79 ALDH1A1 (0.50) HTTALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL22800291 0.78 L3MBTL1 (0.41) HTTALDH1A1SMN1; SMN2HPGDPDE4D
SCHEMBL2358435 0.77 KMT2A (0.58) ALDH1A1GAAMAPTHPGDCA1
SCHEMBL13624226 0.77 PDE4D (0.58) ALDH1A1SMN1; SMN2MAPTHPGDKMT2A
SCHEMBL9682074 0.76 PDE4B (0.48) HTTALDH1A1SMN1; SMN2MAPTCA12

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-20200392157-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF Knobbe, Martens, Olson & Bear, LLP 2020-12-17 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-20200392157-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN2, CAPN1 HTT 1041/4885ALDH1A1 3918/4885SMN1; SMN2 393/4885

“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.