SCHEMBL3328131

SCHEMBL3328131

O=C(Cc1ccccc1C(F)(F)F)N1CCC(c2ccc(O)cc2)=N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.46
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CNR1 P21554 1/20 0.43
MAOB P27338 1/20 0.42
HCRTR1 O43613 1/20 0.41
PGR P06401 1/20 0.41
PRCP P42785 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ORAI1 Q96D31 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
BACE1 P56817 1/20 0.38
DPP4 P27487 1/20 0.38
DPP7 Q9UHL4 1/20 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
SCHEMBL3325321 0.86 ALDH1A1 (0.41) ALDH1A1RAB9AHPGDSMN1; SMN2MAOB
SCHEMBL3326908 0.85 PGR (0.40) ALDH1A1RAB9AHPGDSMN1; SMN2CNR1
SCHEMBL3328686 0.79 SMN1; SMN2 (0.47) ALDH1A1RAB9AHPGDSMN1; SMN2MAOB
SCHEMBL3328697 0.78 PGR (0.40) ALDH1A1RAB9AHPGDSMN1; SMN2CNR1
SCHEMBL982788 0.78 MAOB (0.47) ALDH1A1RAB9AHPGDSMN1; SMN2MAOB
SCHEMBL3323500 0.77 ALDH1A1 (0.47) ALDH1A1RAB9AHPGDSMN1; SMN2MAOB
SCHEMBL982457 0.77 MAOB (0.49) ALDH1A1RAB9AHPGDSMN1; SMN2MAOB
SCHEMBL13299663 0.75 ALDH1A1 (0.43) ALDH1A1RAB9AHPGDSMN1; SMN2MAOB
SCHEMBL981737 0.75 ME2 (0.51) ALDH1A1RAB9AHPGDSMN1; SMN2MAOB
Benzoic Acid SCHEMBL3327672 0.75 HCRTR1 (0.43) 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 RBP4 3495/4885ALDH1A1 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.