SCHEMBL3326328

SCHEMBL3326328

CO/C=C/C(=O)Nc1ccc(C2=NN(C(=O)Cc3cc(OC)c(OC)cc3Br)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
MAOB P27338 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 1/20 0.42
P2RX7 Q99572 1/20 0.35
KMT2A Q03164 5/20 0.35
LMNA P02545 4/20 0.35
ABCB1 P08183 3/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 4/20 0.34
MAPT P10636 4/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HCRTR1 O43613 1/20 0.34

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
SCHEMBL3326335 1.00 HPGD (0.42) HPGDMAOBALDH1A1SMN1; SMN2RAB9A
SCHEMBL3326805 0.86 ABCB1 (0.46) HPGDMAOBALDH1A1SMN1; SMN2RAB9A
SCHEMBL3328887 0.85 MAOB (0.48) HPGDMAOBALDH1A1SMN1; SMN2RAB9A
SCHEMBL13299684 0.84 ALDH1A1 (0.44) HPGDMAOBALDH1A1SMN1; SMN2RAB9A
SCHEMBL3326527 0.82 MAOB (0.51) HPGDMAOBALDH1A1SMN1; SMN2RAB9A
SCHEMBL3327677 0.82 ALDH1A1 (0.45) HPGDMAOBALDH1A1SMN1; SMN2RAB9A
SCHEMBL3327673 0.82 MAOB (0.42) HPGDMAOBALDH1A1SMN1; SMN2RAB9A
SCHEMBL3324050 0.81 MAOB (0.50) HPGDMAOBALDH1A1SMN1; SMN2RAB9A
SCHEMBL3328229 0.80 MAOB (0.51) HPGDMAOBALDH1A1SMN1; SMN2RAB9A
SCHEMBL14037193 0.77 ALDH1A1 (0.42) HPGDMAOBALDH1A1SMN1; SMN2RAB9A

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 HPGD 2944/4885MAOB 4014/4885ALDH1A1 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.