SCHEMBL3328686

SCHEMBL3328686

O=C(Cc1ccccc1COc1ccccc1)N1CCC(c2ccc(O)cc2)=N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 3/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 1/20 0.47
MAOB P27338 2/20 0.44
HCRTR1 O43613 1/20 0.42
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ME2 P23368 1/20 0.40
ME1 P48163 1/20 0.40
ME3 Q16798 1/20 0.40
MIF P14174 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 2/20 0.38
GAA P10253 1/20 0.38
CPT1A P50416 2/20 0.38

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
SCHEMBL3328131 0.79 RBP4 (0.46) SMN1; SMN2ALDH1A1RAB9AHPGDMAOB
SCHEMBL982457 0.78 MAOB (0.49) SMN1; SMN2ALDH1A1RAB9AHPGDMAOB
SCHEMBL3323500 0.76 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1RAB9AHPGDMAOB
SCHEMBL3324148 0.76 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1RAB9AHPGDMAOB
Benzoic Acid SCHEMBL3327672 0.76 HCRTR1 (0.43) SMN1; SMN2ALDH1A1RAB9AHPGDMAOB
SCHEMBL982974 0.75 RAB9A (0.58) SMN1; SMN2ALDH1A1RAB9AHPGDMAOB
SCHEMBL982788 0.74 MAOB (0.47) SMN1; SMN2ALDH1A1RAB9AHPGDMAOB
SCHEMBL3326842 0.74 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1RAB9AHPGDMAOB
SCHEMBL3328170 0.74 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1RAB9AHPGDMAOB
SCHEMBL980255 0.73 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1RAB9AHPGDMAOB

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 5 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
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 SMN1; SMN2 4825/4885ALDH1A1 1479/4885RAB9A 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.