SCHEMBL13108535

SCHEMBL13108535

[C-]#[N+]c1cc(-c2nccc(C(=O)O)c2F)ccc1Sc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.38
▸ ASPH Q12797 1/20 0.38
▸ KDM8 Q8N371 1/20 0.38
▸ MEN1 O00255 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MAP3K5 Q99683 1/20 0.34
▸ ACMSD Q8TDX5 1/20 0.34
▸ DHODH Q02127 1/20 0.34
▸ MAPK1 P28482 2/20 0.32
▸ KDM4A O75164 1/20 0.32
▸ KDM5A P29375 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.32
▸ KDM5B Q9UGL1 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.32
▸ TNK2 Q07912 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ KMO O15229 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32

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
SCHEMBL13118031 0.82 KDM4E (0.42) KDM4EASPHKDM8MEN1HPGD
SCHEMBL12126160 0.80 KDM4E (0.42) KDM4EASPHKDM8MEN1KMT2A
SCHEMBL13723419 0.80 KDM4E (0.45) KDM4EASPHKDM8MEN1HPGD
SCHEMBL13108539 0.77 ALDH1A1 (0.41) KDM4EASPHKDM8HPGDDHODH
SCHEMBL13118050 0.75 AKR1C2 (0.41) KDM4EASPHKDM8KMT2AMAP3K5
SCHEMBL13118051 0.73 AKR1C2 (0.42) DHODHKDM5AKDM4CKDM5BAKR1C2
SCHEMBL13108552 0.72 GAA (0.41) KDM4EASPHKDM8HPGDMAPK1
SCHEMBL22245628 0.69 KDM4E (0.56) KDM4EASPHKDM8MEN1HPGD
SCHEMBL26036572 0.69 KMO (0.62) KDM4EASPHKDM8KDM4AKDM5A
SCHEMBL16313328 0.68 KDM4E (0.40) KDM4EASPHKDM8MAP3K5

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 KDM4E 739/4885ASPH 2124/4885KDM8 881/4885

“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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