SCHEMBL21725670

SCHEMBL21725670

BN1CCOc2ccc(C(C)C)cc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
AOC3 Q16853 1/20 0.34
NOTUM Q6P988 1/20 0.33
USP9X Q93008 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
OGA O60502 1/20 0.33
SCN9A Q15858 2/20 0.32
KCNH2 Q12809 1/20 0.32
SCN5A Q14524 1/20 0.31

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
SCHEMBL69983 0.83 TDP1 (0.51) TDP1PTGS1PTGS2NOTUMUSP9X
SCHEMBL15625462 0.81 TDP1 (0.38) TDP1PTGS1PTGS2AOC3NOTUM
SCHEMBL22152189 0.78 TDP1 (0.39) TDP1PTGS1PTGS2AOC3TP53
SCHEMBL13035770 0.78 PTGER3 (0.42) TDP1PTGS1PTGS2AOC3
SCHEMBL18687349 0.78 MAPT (0.46) LMNAMAPT
SCHEMBL24486502 0.76 PDE3B (0.51) TDP1USP9XLMNATP53
SCHEMBL13085655 0.76 AR (0.42) TDP1
SCHEMBL18737439 0.76 NOTUM (0.60) TDP1NOTUMLMNATP53MAPT
SCHEMBL70633 0.75 TDP1 (0.53) TDP1PTGS1PTGS2NOTUMSCN9A
SCHEMBL13085614 0.75 NPY5R (0.39) TDP1

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-20200385369-A1 NEW BENZIMIDAZOLES DERIVATIVES AS TEC KINASES FAMILY INHIBITORS GB005 INC (US) 2020-12-10 US disclosed
US-10562893-B2 Benzimidazoles derivatives as Tec kinases family inhibitors GB005, INC. (US) 2020-02-18 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 (2 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-10562893-B2 Benzimidazoles derivatives as Tec kinases family inhibitors BMX, TEC, BTK TDP1 902/4885PTGS1 2671/4885PTGS2 3226/4885
US-20200385369-A1 NEW BENZIMIDAZOLES DERIVATIVES AS TEC KINASES FAMILY INHIBITORS BMX, TEC, BTK TDP1 783/4885PTGS1 2683/4885PTGS2 3276/4885

“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.