SCHEMBL3328522

SCHEMBL3328522

CNC(=O)Nc1ccc(C2=NN(C(=O)Cc3ccc(OC)c(OC)c3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.52
ABCB1 P08183 1/20 0.52
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 5/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 4/20 0.45
POLB P06746 2/20 0.45
EPHX2 P34913 1/20 0.45
HTT P42858 2/20 0.44
KDM4E B2RXH2 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
HSD17B10 Q99714 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ROCK2 O75116 1/20 0.44
NAMPT P43490 1/20 0.44
NPC1 O15118 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL14037222 0.92 ABCB1 (0.47) MAOBABCB1RAB9AALDH1A1HPGD
SCHEMBL3326853 0.90 MAOB (0.54) MAOBABCB1RAB9AALDH1A1HPGD
SCHEMBL3325200 0.90 MAOB (0.56) MAOBRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL3328765 0.89 ALDH1A1 (0.52) MAOBRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL3326988 0.88 MAOB (0.51) MAOBRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL3326990 0.88 MAOB (0.51) MAOBRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL13299677 0.87 MAOB (0.50) MAOBRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL3326552 0.86 KDM4E (0.58) MAOBALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL3326805 0.85 ABCB1 (0.46) MAOBABCB1RAB9AALDH1A1HPGD
SCHEMBL3326978 0.85 ABCB1 (0.48) MAOBABCB1RAB9AALDH1A1HPGD

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 432/4885RAB9A 624/4885

“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.