SCHEMBL13802476

SCHEMBL13802476

O=[N+]([O-])c1ccc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(CO)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.49
IDO1 P14902 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 4/20 0.45
MAPT P10636 4/20 0.45
KMT2A Q03164 4/20 0.45
GAA P10253 1/20 0.45
TDO2 P48775 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CRHBP P24387 1/20 0.44
CYP2C19 P33261 1/20 0.44
CRHR2 Q13324 1/20 0.44
MITF O75030 1/20 0.44
TLR2 O60603 1/20 0.43
TLR1 Q15399 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 2/20 0.43

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
SCHEMBL4209269 0.82 MAPT (0.70) PIN1ALDH1A1MEN1MAPTKMT2A
SCHEMBL13802487 0.82 MITF (0.67) PIN1IDO1ALDH1A1MEN1MAPT
SCHEMBL13802458 0.81 MAPT (0.48) ALDH1A1MEN1MAPTKMT2AGAA
SCHEMBL4214830 0.79 MAPT (0.53) PIN1IDO1ALDH1A1MEN1MAPT
SCHEMBL13802481 0.79 MAPT (0.53) PIN1IDO1ALDH1A1MEN1MAPT
SCHEMBL13802482 0.78 MAPT (0.52) PIN1IDO1ALDH1A1MEN1MAPT
SCHEMBL13802471 0.76 EGFR (0.55) IDO1ALDH1A1MEN1MAPTKMT2A
SCHEMBL3559178 0.74 PIN1 (0.45) PIN1IDO1MEN1MAPTKMT2A
SCHEMBL4211539 0.72 MAPT (0.72) ALDH1A1MEN1MAPTKMT2AGAA
SCHEMBL3826582 0.71 MAPT (0.58) ALDH1A1MEN1MAPTKMT2AGAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD APP, PSEN2, PSEN1 PIN1 581/4885IDO1 597/4885ALDH1A1 2808/4885

“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.