SCHEMBL3328864

SCHEMBL3328864

Cc1cc(C)c(CC(=O)N2CCC(c3ccc(O)cc3)=N2)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAOB P27338 10/20 0.45
MIF P14174 4/20 0.42
HCRTR1 O43613 1/20 0.41
GAA P10253 1/20 0.39
PGR P06401 1/20 0.38
MAOA P21397 2/20 0.37
DHODH Q02127 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL14037223 0.92 MAOB (0.53) ALDH1A1HPGDRAB9ASMN1; SMN2MAOB
SCHEMBL3326920 0.84 ALDH1A1 (0.46) ALDH1A1HPGDRAB9ASMN1; SMN2MAOB
SCHEMBL3325295 0.83 MAOB (0.46) ALDH1A1HPGDRAB9ASMN1; SMN2MAOB
SCHEMBL3328483 0.83 KDM4E (0.46) ALDH1A1HPGDRAB9ASMN1; SMN2MAOB
SCHEMBL3326832 0.80 ALDH1A1 (0.59) ALDH1A1HPGDRAB9ASMN1; SMN2MAOB
SCHEMBL3323500 0.79 ALDH1A1 (0.47) ALDH1A1HPGDRAB9ASMN1; SMN2MAOB
SCHEMBL3327514 0.78 ALDH1A1 (0.51) ALDH1A1HPGDRAB9ASMN1; SMN2MAOB
SCHEMBL980255 0.78 ALDH1A1 (0.46) ALDH1A1HPGDRAB9ASMN1; SMN2MAOB
SCHEMBL981737 0.76 ME2 (0.51) ALDH1A1HPGDRAB9ASMN1; SMN2MAOB
SCHEMBL982457 0.75 MAOB (0.49) ALDH1A1HPGDRAB9ASMN1; 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 1479/4885HPGD 2944/4885RAB9A 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.