SCHEMBL13580995

SCHEMBL13580995

COc1ccc(Oc2cccc(OC(F)(F)F)c2)cc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
THRB P10828 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 2/20 0.44
HCRTR1 O43613 2/20 0.42
HCRTR2 O43614 2/20 0.42
GAA P10253 2/20 0.42
MITF O75030 1/20 0.42
GFER P55789 1/20 0.42
NLRP1 Q9C000 1/20 0.42
NOD2 Q9HC29 1/20 0.42
APP P05067 1/20 0.42
CYP3A4 P08684 1/20 0.41
F10 P00742 1/20 0.39
GRIN2B Q13224 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
SCHEMBL31009457 1.00 MAPT (0.55) MAPTL3MBTL1NPSR1ALDH1A1MEN1
SCHEMBL24749777 0.89 ALDH1A1 (0.56) MAPTL3MBTL1NPSR1ALDH1A1MEN1
SCHEMBL30768426 0.89 ALDH1A1 (0.56) MAPTL3MBTL1NPSR1ALDH1A1MEN1
SCHEMBL5114311 0.89 ALDH1A1 (0.63) MAPTL3MBTL1NPSR1ALDH1A1MEN1
SCHEMBL31694813 0.82 L3MBTL1 (0.66) MAPTL3MBTL1NPSR1ALDH1A1MEN1
SCHEMBL24751467 0.82 L3MBTL1 (0.66) MAPTL3MBTL1NPSR1ALDH1A1MEN1
SCHEMBL15938210 0.80 ALDH1A1 (0.76) MAPTL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL31694793 0.80 MAPT (0.56) MAPTL3MBTL1NPSR1ALDH1A1MEN1
SCHEMBL24751466 0.80 MAPT (0.56) MAPTL3MBTL1NPSR1ALDH1A1MEN1
SCHEMBL3045451 0.79 ALDH1A1 (0.63) MAPTL3MBTL1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022219246-A1 TEAD INHIBITORS ORION CORPORATION (FI) 2022-10-20 WO disclosed
US-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 US disclosed
US-20090312315-A1 PAI-1 INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-17 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-20090312315-A1 PAI-1 INHIBITOR SERPINC1, SERPINE1, SERPINH1 MAPT 4277/4885L3MBTL1 194/4885NPSR1 3055/4885

“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.