SCHEMBL3326281

SCHEMBL3326281

CNc1ccc(C2=NN(C(=O)Cc3cc(OC)c(OC)cc3Cl)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
HCRTR1 O43613 1/20 0.38
GAA P10253 1/20 0.37
ABCB1 P08183 2/20 0.36
PGR P06401 1/20 0.36
LRRK2 Q5S007 1/20 0.35
MET P08581 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE4B Q07343 1/20 0.35

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
SCHEMBL3326978 0.91 ABCB1 (0.48) MAOBRAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL3326979 0.89 MAOB (0.48) MAOBRAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL3323851 0.89 MAOB (0.51) MAOBRAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL3325367 0.89 ALDH1A1 (0.45) MAOBRAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL3326616 0.89 MAOB (0.45) MAOBRAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL3328887 0.88 MAOB (0.48) MAOBRAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL3328859 0.88 MAOB (0.50) MAOBRAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL3325207 0.88 MAOB (0.44) MAOBRAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL3328607 0.84 ALDH1A1 (0.47) MAOBRAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL3325200 0.84 MAOB (0.56) MAOBRAB9ASMN1; SMN2ALDH1A1HPGD

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
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

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 MAOB 4014/4885RAB9A 624/4885SMN1; 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.