SCHEMBL5924626

SCHEMBL5924626

CC(C)[CH]c1ccc(-c2ccccc2Cl)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.41
▸ MAPK14 Q16539 8/20 0.39
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ DHODH Q02127 2/20 0.38
▸ MAOB P27338 1/20 0.36
▸ ALOX5AP P20292 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ LIMK1 P53667 1/20 0.35
▸ LIMK2 P53671 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.35

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
SCHEMBL5924630 0.83 KCNH2 (0.35) CYP1A2CYP3A4
SCHEMBL2609360 0.77 IDO1 (0.43) IDO1MAPK14POLBKMT2AL3MBTL1
SCHEMBL5925075 0.75 LDHA (0.47) POLBKMT2AL3MBTL1GAAALDH1A1
SCHEMBL10264656 0.74 CCR1 (0.56) IDO1POLBKMT2AL3MBTL1GAA
SCHEMBL5924628 0.74 IDO1 (0.38) IDO1MAPK14L3MBTL1GAADHODH
SCHEMBL14200502 0.73 GAA (0.43) IDO1POLBKMT2AL3MBTL1GAA
SCHEMBL2408039 0.70 HSP90AA1 (0.47) IDO1MAPK14DHODHALOX5APFEN1
SCHEMBL31370733 0.70 IDO1 (0.47) IDO1DHODHMAOBALDH1A1HSD11B1
SCHEMBL13017168 0.70 CYP1A2 (0.42) IDO1MAPK14POLBKMT2AL3MBTL1
SCHEMBL5924747 0.70 MEN1 (0.39) MAPK14POLBKMT2A

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-20060122184-A1 Cyanomethyl derivatives as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2006-06-08 — — 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-20060122184-A1 Cyanomethyl derivatives as cysteine protease inhibitors CTSF, CTSB, CTSK IDO1 2583/4885MAPK14 3017/4885POLB 1840/4885

“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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