SCHEMBL17678293

SCHEMBL17678293

Cc1nn(CCN2CCCC2)c2cc(Br)ccc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.45
CNR1 P21554 2/20 0.45
CNR2 P34972 2/20 0.45
HTR7 P34969 7/20 0.42
ADORA2A P29274 2/20 0.42
ADORA2B P29275 2/20 0.42
KMO O15229 1/20 0.41
GLS O94925 1/20 0.39
QPCT Q16769 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL17678294 0.92 ALDH1A1 (0.40) BCHECNR1CNR2HTR7ADORA2A
SCHEMBL17674304 0.89 ALOX15 (0.45) CNR2ADORA2AADORA2BKMOKMT2A
SCHEMBL2957093 0.89 BCHE (0.53) BCHECNR1CNR2HTR7ADORA2A
SCHEMBL17678172 0.86 ADORA2A (0.44) BCHECNR1CNR2HTR7ADORA2A
SCHEMBL17678292 0.83 EGFR (0.43) ALDH1A1
SCHEMBL21025790 0.81 KDM4E (0.47) ADORA2AADORA2BKMOGLSQPCT
SCHEMBL18731895 0.78 HRH1 (0.42) HTR7ADORA2AADORA2BKMOGLS
SCHEMBL2144945 0.77 ADORA2A (0.62) ADORA2AADORA2BKMOGLSMAPT
SCHEMBL21026356 0.77 ADORA2A (0.44) HTR7ADORA2AADORA2BKMOGLS
SCHEMBL17678141 0.75 IRAK4 (0.36) BCHECNR1CNR2ADORA2AADORA2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 US disclosed
WO-2016057834-A9 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2017-04-13 WO disclosed
WO-2016057834-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2016-04-14 WO 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-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 BCHE 2437/4885CNR1 2908/4885CNR2 3059/4885

“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.