SCHEMBL2054495

SCHEMBL2054495

CCCCCc1ccc(CCCCN2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.73
L3MBTL1 Q9Y468 1/20 0.73
ALDH1A1 P00352 1/20 0.56
ALDH2 P05091 1/20 0.56
ALDH3A1 P30838 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
CES1 P23141 2/20 0.55
CDC25A P30304 1/20 0.55
BCHE P06276 1/20 0.52
ACHE P22303 1/20 0.52
MAOB P27338 1/20 0.52
CYP1B1 Q16678 1/20 0.52

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
SCHEMBL6285932 0.97 TDP1 (0.69) TDP1L3MBTL1ALDH1A1ALDH2ALDH3A1
SCHEMBL6283360 0.95 TDP1 (0.71) TDP1L3MBTL1MEN1KMT2ACES1
SCHEMBL6283135 0.92 TDP1 (0.66) TDP1L3MBTL1ALDH1A1ALDH2ALDH3A1
SCHEMBL29418113 0.90 ALDH1A1 (0.67) TDP1L3MBTL1ALDH1A1ALDH2ALDH3A1
SCHEMBL45324 0.90 ALDH1A1 (0.67) TDP1L3MBTL1ALDH1A1ALDH2ALDH3A1
SCHEMBL9220253 0.89 TDP1 (0.76) TDP1L3MBTL1MAOBCYP1B1
SCHEMBL23731163 0.88 CES1 (0.68) TDP1L3MBTL1ALDH1A1ALDH2ALDH3A1
SCHEMBL732925 0.88 CES1 (0.68) TDP1L3MBTL1ALDH1A1ALDH2ALDH3A1
SCHEMBL8862943 0.88 CES1 (0.68) TDP1L3MBTL1ALDH1A1ALDH2ALDH3A1
SCHEMBL10725536 0.88 CES1 (0.68) TDP1L3MBTL1ALDH1A1ALDH2ALDH3A1

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-8163758-B2 Phenyl substituted pyrazinoylguanidine sodium channel blockers possessing beta agonist activity PARION SCIENCES, INC. (US) 2012-04-24 US disclosed
US-20110008268-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY PARION SCIENCES, INC. (US) 2011-01-13 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-20110008268-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY CACNA1C, CACNA1B, CACNA1G TDP1 4087/4885L3MBTL1 3988/4885ALDH1A1 1434/4885

“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.