SCHEMBL8735889

SCHEMBL8735889

CCc1ccc2c(=O)[nH]ncc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
PARP1 P09874 1/20 0.51
PRKCI P41743 1/20 0.51
PDE4B Q07343 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
PTK2B Q14289 1/20 0.42
ELANE P08246 2/20 0.41
CDC7 O00311 1/20 0.41
TYMS P04818 1/20 0.40
DAO P14920 1/20 0.40
CYP1A2 P05177 1/20 0.39

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
SCHEMBL10508991 0.83 PARP1 (0.51) ALDH1A1PARP1PRKCIPDE4BHSD17B10
SCHEMBL11023694 0.83 ALDH1A1 (0.51) ALDH1A1PARP1PRKCIPDE4BHSD17B10
SCHEMBL10511436 0.81 ALDH1A1 (0.46) ALDH1A1PARP1PRKCIPDE4BHSD17B10
SCHEMBL10508663 0.80 PARP1 (0.56) ALDH1A1PARP1PRKCIPDE4BHSD17B10
SCHEMBL10509845 0.78 ALDH1A1 (0.46) ALDH1A1PARP1PRKCIPDE4BHSD17B10
SCHEMBL10507388 0.78 ALDH1A1 (0.46) ALDH1A1PARP1PRKCIPDE4BHSD17B10
SCHEMBL10756857 0.78 PARP1 (0.46) ALDH1A1PARP1PRKCIPDE4BHSD17B10
SCHEMBL29505933 0.78 ALDH1A1 (0.46) ALDH1A1PARP1PRKCIPDE4BHSD17B10
SCHEMBL10508752 0.78 TDP1 (0.43) ALDH1A1PARP1PRKCIPDE4BHSD17B10
SCHEMBL10758186 0.78 DAO (0.47) ALDH1A1PARP1PRKCIPDE4BHSD17B10

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-20120129845-A1 Inhibitors of Bruton's Tyrosine Kinase DEWDNEY NOLAN JAMES (HK) 2012-05-24 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-20120129845-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN ALDH1A1 4560/4885PARP1 1973/4885PRKCI 329/4885

“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.