SCHEMBL3323922

SCHEMBL3323922

CCOc1cc(CC(=O)N2CCC(c3ccc(O)cc3)=N2)ccc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
HPGD P15428 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
RAB9A P51151 1/20 0.51
MAOB P27338 1/20 0.51
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
HTT P42858 1/20 0.43
KDM4E B2RXH2 4/20 0.42
HSD17B10 Q99714 2/20 0.42
GAA P10253 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PDE4B Q07343 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
SCHEMBL3327514 0.87 ALDH1A1 (0.51) ALDH1A1HPGDSMN1; SMN2RAB9AMAOB
SCHEMBL979299 0.86 MAOB (0.65) ALDH1A1HPGDSMN1; SMN2RAB9AMAOB
SCHEMBL3324086 0.85 MEN1 (0.50) ALDH1A1HPGDSMN1; SMN2RAB9AMAOB
SCHEMBL3324145 0.83 MAOB (0.58) ALDH1A1HPGDSMN1; SMN2RAB9AMAOB
SCHEMBL3324143 0.82 MAOB (0.57) ALDH1A1HPGDSMN1; SMN2RAB9AMAOB
SCHEMBL3325200 0.82 MAOB (0.56) ALDH1A1HPGDSMN1; SMN2RAB9AMAOB
SCHEMBL13299689 0.82 MAOB (0.56) ALDH1A1HPGDSMN1; SMN2RAB9AMAOB
SCHEMBL3323955 0.81 MAOB (0.57) ALDH1A1HPGDSMN1; SMN2RAB9AMAOB
SCHEMBL3328765 0.80 ALDH1A1 (0.52) ALDH1A1HPGDSMN1; SMN2RAB9AMAOB
SCHEMBL3326885 0.80 MAOB (0.54) ALDH1A1HPGDSMN1; SMN2RAB9AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2148865-B1 PYRAZOLE INHIBITORS OF WNT SIGNALING GENENTECH INC (US) 2017-05-17 EP disclosed
US-20100137394-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING GRENENTECH, INC. (US) 2010-06-03 US disclosed
US-20100137394-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING GRENENTECH, INC. (US) 2010-06-03 US disclosed
US-20100137394-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING GRENENTECH, INC. (US) 2010-06-03 US disclosed
EP-2148865-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING Genentech, Inc. (US) 2010-02-03 EP disclosed
WO-2008137408-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING GENENTECH, INC. (US) 2008-11-13 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 (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-20100137394-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING WNT1, WNT3A, CTNNB1 ALDH1A1 1479/4885HPGD 2944/4885SMN1; SMN2 4825/4885

“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.