SCHEMBL12585069

SCHEMBL12585069

CCOC(=O)c1cc(C#N)cc2cc[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.46
▸ SLC22A12 Q96S37 1/20 0.46
▸ IKBKB O14920 1/20 0.44
▸ CHUK O15111 1/20 0.44
▸ KDM4E B2RXH2 7/20 0.44
▸ GLA P06280 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MAPT P10636 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ APOBEC3G Q9HC16 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ TSHR P16473 2/20 0.42
▸ MAPK1 P28482 1/20 0.42

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
SCHEMBL12583878 0.81 TSHR (0.50) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL618995 0.80 ALDH1A1 (0.46) KDM4EGLAALDH1A1HPGDMAPT
SCHEMBL988113 0.80 KDM4E (0.46) IKBKBCHUKKDM4EALDH1A1HPGD
SCHEMBL12583934 0.80 KDM4E (0.51) KDM4EGLAALDH1A1HPGDMAPT
SCHEMBL12585067 0.79 XDH (0.64) XDHSLC22A12IKBKBCHUK
SCHEMBL7669452 0.77 TSHR (0.47) KDM4EGLAATMALDH1A1HPGD
SCHEMBL12583876 0.76 KDM4E (0.50) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL28597933 0.76 XDH (0.50) XDHSLC22A12IKBKBCHUK
SCHEMBL2885005 0.75 KEAP1 (0.58) KDM4EALDH1A1HPGDKMT2AHSD17B10
SCHEMBL7671086 0.74 MAOB (0.53) KDM4EGLAALDH1A1HPGDMAPT

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
US-20110144153-A1 AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-16 — — US disclosed
US-20110144153-A1 AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-16 — — US disclosed
WO-2009139373-A1 AMIDE COMPOUND アステラス製薬株式会社 (JP) 2009-11-19 — — WO 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-20110144153-A1 AMIDE COMPOUND PTGER4, PTGER1, PTGER2 XDH 4659/4885SLC22A12 3277/4885IKBKB 1238/4885

“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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