SCHEMBL15318232

SCHEMBL15318232

Cc1n[nH]c(O)c1N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.44
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
GAA P10253 2/20 0.39
LRRK2 Q5S007 1/20 0.38
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 3/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
KMT2A Q03164 3/20 0.35
HSD17B10 Q99714 3/20 0.35
MEN1 O00255 2/20 0.35
TSHR P16473 2/20 0.35
PDE10A Q9Y233 1/20 0.34
HPGD P15428 2/20 0.34
GPR55 Q9Y2T6 1/20 0.34
TNIK Q9UKE5 1/20 0.34
ALOX15 P16050 2/20 0.33

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
SCHEMBL15318265 0.80 TTR (0.37) KDM4ESMN1; SMN2
SCHEMBL15318169 0.80 HSP90AA1 (0.43) ALDH1A1PDE10AUSP2SMN1; SMN2
SCHEMBL9761085 0.72 MAPT (0.40) CYP2C9ALDH1A1KMT2AHPGDMAPT
SCHEMBL26131093 0.68 BRD4 (0.44) CYP2C9GAALRRK2ALDH1A1PIK3CB
SCHEMBL14822948 0.66 KMT2A (0.49) GAALRRK2ALDH1A1KDM4EPIK3CB
Ammonia Solution, Strong SCHEMBL28610359 0.63 ALDH1A1 (0.45) GAALRRK2ALDH1A1KDM4EPIK3CD
SCHEMBL21888966 0.63 GAA (0.62) CYP2C9GAALRRK2ALDH1A1KDM4E
SCHEMBL10649135 0.63 ALDH1A1 (0.43) GAAALDH1A1KDM4EPIK3CDPIK3CA
SCHEMBL1311874 0.62 PIK3CA (0.47) CYP2C9GAALRRK2ALDH1A1KDM4E
SCHEMBL20093555 0.62 STK4 (0.52) GAALRRK2KDM4E

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
EP-2712863-B1 Novel inhibitors of bacterial biofilms and related methods SEQUOIA SCIENCES INC (US) 2014-10-22 EP disclosed
US-20130274256-A1 NOVEL INHIBITORS OF BACTERIAL BIOFILMS AND RELATED METHODS SEQUOIA SCIENCES, INC. (US) 2013-10-17 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-20130274256-A1 NOVEL INHIBITORS OF BACTERIAL BIOFILMS AND RELATED METHODS BLVRB, MMP8, PGLS CYP2C9 4562/4885ADRA2A 4789/4885ADRA2B 4471/4885

“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.