SCHEMBL3325367

SCHEMBL3325367

COc1cc(Cl)c(CC(=O)N2CCC(c3ccc(NS(C)(=O)=O)cc3)=N2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 3/20 0.45
RAB9A P51151 2/20 0.45
MAOB P27338 2/20 0.45
ABCB1 P08183 1/20 0.45
MAPT P10636 4/20 0.41
KDM4E B2RXH2 4/20 0.39
EPHX2 P34913 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
MTOR P42345 1/20 0.37
NPC1 O15118 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
IDO1 P14902 1/20 0.36

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
SCHEMBL3327677 0.89 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HPGDRAB9AMAOB
SCHEMBL3328763 0.89 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HPGDRAB9AMAOB
SCHEMBL3326281 0.89 MAOB (0.48) ALDH1A1SMN1; SMN2HPGDRAB9AMAOB
SCHEMBL3326840 0.88 KDM4E (0.41) ALDH1A1SMN1; SMN2HPGDRAB9AMAPT
SCHEMBL3326979 0.86 MAOB (0.48) ALDH1A1SMN1; SMN2HPGDRAB9AMAOB
SCHEMBL3323851 0.85 MAOB (0.51) ALDH1A1SMN1; SMN2HPGDRAB9AMAOB
SCHEMBL3326978 0.85 ABCB1 (0.48) ALDH1A1SMN1; SMN2HPGDRAB9AMAOB
SCHEMBL3326616 0.85 MAOB (0.45) ALDH1A1SMN1; SMN2HPGDRAB9AMAOB
SCHEMBL3323489 0.85 MAOB (0.52) ALDH1A1SMN1; SMN2HPGDRAB9AMAOB
SCHEMBL3328859 0.84 MAOB (0.50) ALDH1A1SMN1; SMN2HPGDRAB9AMAOB

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 7 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
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 1479/4885SMN1; SMN2 4825/4885HPGD 2944/4885

“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.