SCHEMBL3323489

SCHEMBL3323489

COc1ccc(CC(=O)N2CCC(c3ccc(NS(C)(=O)=O)cc3)=N2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.52
ABCB1 P08183 1/20 0.48
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 2/20 0.46
MAPT P10636 5/20 0.45
HTT P42858 2/20 0.44
LMNA P02545 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL13299666 0.91 MAOB (0.51) MAOBALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL3325200 0.88 MAOB (0.56) MAOBALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL3326853 0.86 MAOB (0.54) MAOBABCB1ALDH1A1SMN1; SMN2HPGD
SCHEMBL3328763 0.85 ALDH1A1 (0.45) MAOBABCB1ALDH1A1SMN1; SMN2HPGD
SCHEMBL3325367 0.85 ALDH1A1 (0.45) MAOBABCB1ALDH1A1SMN1; SMN2HPGD
SCHEMBL3327677 0.85 ALDH1A1 (0.45) MAOBABCB1ALDH1A1SMN1; SMN2HPGD
SCHEMBL3328522 0.85 MAOB (0.52) MAOBABCB1ALDH1A1SMN1; SMN2HPGD
SCHEMBL3328765 0.85 ALDH1A1 (0.52) MAOBALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL3324145 0.84 MAOB (0.58) MAOBALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL3326990 0.84 MAOB (0.51) MAOBALDH1A1SMN1; SMN2HPGDRAB9A

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 MAOB 4014/4885ABCB1 432/4885ALDH1A1 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.