SCHEMBL3328170

SCHEMBL3328170

COc1ccc(OC)c(CC(=O)N2CCC(c3ccc(O)cc3)=N2)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
RAB9A P51151 2/20 0.60
HPGD P15428 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MAOB P27338 6/20 0.51
HSD17B10 Q99714 1/20 0.47
MAOA P21397 2/20 0.45
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MEN1 O00255 1/20 0.39
HCRTR1 O43613 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL3326842 0.92 ALDH1A1 (0.60) ALDH1A1RAB9AHPGDSMN1; SMN2MAOB
SCHEMBL14037178 0.89 ALDH1A1 (0.60) ALDH1A1RAB9AHPGDSMN1; SMN2MAOB
SCHEMBL3328030 0.88 ALDH1A1 (0.50) ALDH1A1RAB9AHPGDSMN1; SMN2MAOB
SCHEMBL3326709 0.86 ALDH1A1 (0.54) ALDH1A1RAB9AHPGDSMN1; SMN2MAOB
SCHEMBL3326832 0.85 ALDH1A1 (0.59) ALDH1A1RAB9AHPGDSMN1; SMN2MAOB
SCHEMBL3328782 0.84 ALDH1A1 (0.52) ALDH1A1RAB9AHPGDSMN1; SMN2MAOB
SCHEMBL3326527 0.83 MAOB (0.51) ALDH1A1RAB9AHPGDSMN1; SMN2MAOB
SCHEMBL3323851 0.83 MAOB (0.51) ALDH1A1RAB9AHPGDSMN1; SMN2MAOB
SCHEMBL3327514 0.81 ALDH1A1 (0.51) ALDH1A1RAB9AHPGDSMN1; SMN2MAOB
SCHEMBL3324148 0.81 ALDH1A1 (0.51) ALDH1A1RAB9AHPGDSMN1; SMN2MAOB

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 ALDH1A1 1479/4885RAB9A 624/4885HPGD 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.