SCHEMBL31019195

SCHEMBL31019195

CCN(CCOC)c1ccc2ccccc2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 1/20 0.50
▸ PTK2 Q05397 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MYC P01106 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ DGAT1 O75907 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ ACP1 P24666 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CRHR1 P34998 1/20 0.37
▸ ELANE P08246 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL4268344 0.85 NCF1 (0.62) NCF1PTK2MYCBCHEACHE
SCHEMBL13701721 0.76 NCF1 (0.60) NCF1PTK2MEN1KMT2ACYP1A2
SCHEMBL13371376 0.74 NCF1 (0.62) NCF1PTK2ALDH1A1HPGDACHE
SCHEMBL24359704 0.73 NCF1 (0.56) NCF1PTK2ALDH1A1HPGDCYP1A2
SCHEMBL25488411 0.73 NCF1 (0.56) NCF1PTK2ALDH1A1CYP1A2MAPT
SCHEMBL27778508 0.73 NCF1 (0.47) NCF1PTK2BCHECYP1A2CRHR1
SCHEMBL7733709 0.72 ALDH1A1 (0.40) ALDH1A1HPGDMEN1KMT2ACRHR1
SCHEMBL23965749 0.72 PPARG (0.53) ALDH1A1MEN1KMT2ACYP1A2MAPT
SCHEMBL10443160 0.71 TSHR (0.52) ALDH1A1MEN1KMT2AACHEMAPT
SCHEMBL10766408 0.70 MEN1 (0.48) ALDH1A1MEN1KMT2ACRHR1

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-20240245673-A1 Papain-like protease (PLpro) inhibitors PFIZER INC. (US) 2024-07-25 — — 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-20240245673-A1 Papain-like protease (PLpro) inhibitors PREP, PEPD, ACE NCF1 3667/4885PTK2 4549/4885ALDH1A1 2220/4885

“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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