SCHEMBL13108552

SCHEMBL13108552

[C-]#[N+]c1cc(-c2nccc(C(=O)O)c2F)ccc1N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.41
▸ KDM4E B2RXH2 5/20 0.41
▸ HPGD P15428 4/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ RORC P51449 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.38
▸ ASPH Q12797 1/20 0.38
▸ KDM8 Q8N371 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
SCHEMBL14384228 0.82 XDH (0.52) KDM4EHPGDALDH1A1CYP1A2CYP3A4
SCHEMBL12126160 0.79 KDM4E (0.42) KDM4EALDH1A1NPC1RAB9AASPH
SCHEMBL13118031 0.77 KDM4E (0.42) KDM4EHPGDALDH1A1ASPHKDM8
SCHEMBL13108539 0.74 ALDH1A1 (0.41) KDM4EHPGDALDH1A1ASPHKDM8
SCHEMBL13108535 0.72 KDM4E (0.38) KDM4EHPGDMAPK1ASPHKDM8
SCHEMBL13118050 0.72 AKR1C2 (0.41) KDM4EALDH1A1ASPHKDM8
SCHEMBL13118051 0.70 AKR1C2 (0.42) —
SCHEMBL22245628 0.66 KDM4E (0.56) KDM4EHPGDALDH1A1ASPHKDM8
SCHEMBL26036572 0.66 KMO (0.62) KDM4EASPHKDM8
SCHEMBL17478873 0.66 GAA (0.65) GAAKDM4EHPGDALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820700-B2 2-phenylpyridine derivative ASTELLAS PHARMA INC. (JP) 2010-10-26 — — US disclosed
US-20070275950-A1 2-Phenylpyridine Derivative ASTELLAS PHARMA INC. (JP) 2007-11-29 — — 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-20070275950-A1 2-Phenylpyridine Derivative NLRP3, XDH, UACA GAA 1029/4885KDM4E 739/4885HPGD 998/4885

“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.

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