SCHEMBL3326869

SCHEMBL3326869

COc1cc(Cl)c(CC(=O)N2CCC(c3ccc(NC(=O)Oc4ccc([N+](=O)[O-])cc4)cc3)=N2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
GAA P10253 3/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
ABCB1 P08183 2/20 0.39
ABCG2 Q9UNQ0 2/20 0.39
PDGFRA P16234 2/20 0.39
PDGFRB P09619 2/20 0.39
KIT P10721 1/20 0.39
FLT3 P36888 1/20 0.39
PGR P06401 2/20 0.39
MAOB P27338 1/20 0.38
KDR P35968 1/20 0.37
SGK1 O00141 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL3328607 0.89 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HPGDRAB9APGR
SCHEMBL3327683 0.88 KMT2A (0.47) ATMGAAALDH1A1SMN1; SMN2HPGD
SCHEMBL3326979 0.82 MAOB (0.48) ALDH1A1SMN1; SMN2HPGDRAB9AABCB1
SCHEMBL3326978 0.81 ABCB1 (0.48) ALDH1A1SMN1; SMN2HPGDRAB9AABCB1
SCHEMBL3326281 0.81 MAOB (0.48) GAAALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL3325207 0.80 MAOB (0.44) GAAALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL3323851 0.78 MAOB (0.51) ALDH1A1SMN1; SMN2HPGDRAB9AABCB1
SCHEMBL3326616 0.78 MAOB (0.45) GAAALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL3325367 0.78 ALDH1A1 (0.45) GAAALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL3328859 0.77 MAOB (0.50) ALDH1A1SMN1; SMN2HPGDRAB9APGR

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
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
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 ATM 2393/4885GAA 4544/4885ALDH1A1 1479/4885

“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.