SCHEMBL3328030

SCHEMBL3328030

COc1ccc(Br)cc1CC(=O)N1CCC(c2ccc(O)cc2)=N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
MAOB P27338 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
KDM4E B2RXH2 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 2/20 0.44
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL3328170 0.88 ALDH1A1 (0.60) ALDH1A1MAOBSMN1; SMN2HPGDRAB9A
SCHEMBL3326527 0.86 MAOB (0.51) ALDH1A1MAOBSMN1; SMN2HPGDRAB9A
SCHEMBL3326709 0.85 ALDH1A1 (0.54) ALDH1A1MAOBSMN1; SMN2HPGDRAB9A
SCHEMBL3328782 0.83 ALDH1A1 (0.52) ALDH1A1MAOBSMN1; SMN2HPGDRAB9A
SCHEMBL3323851 0.82 MAOB (0.51) ALDH1A1MAOBSMN1; SMN2HPGDRAB9A
SCHEMBL3326842 0.82 ALDH1A1 (0.60) ALDH1A1MAOBSMN1; SMN2HPGDRAB9A
SCHEMBL3324148 0.80 ALDH1A1 (0.51) ALDH1A1MAOBSMN1; SMN2HPGDRAB9A
SCHEMBL3327514 0.80 ALDH1A1 (0.51) ALDH1A1MAOBSMN1; SMN2HPGDRAB9A
SCHEMBL979299 0.80 MAOB (0.65) ALDH1A1MAOBSMN1; SMN2HPGDRAB9A
SCHEMBL3326832 0.80 ALDH1A1 (0.59) ALDH1A1MAOBSMN1; 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 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 1479/4885MAOB 4014/4885SMN1; 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.