SCHEMBL5484357

SCHEMBL5484357

Nc1cc(Br)ccc1-c1cc(Br)ccc1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.44
GPR35 Q9HC97 2/20 0.44
S100A4 P26447 1/20 0.41
CYP2A6 P11509 2/20 0.39
PABPC1 P11940 1/20 0.38
PTPRC P08575 1/20 0.36
PTPN1 P18031 1/20 0.36
BCL2 P10415 2/20 0.35
MCL1 Q07820 1/20 0.35
BACE1 P56817 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
ALDH1A1 P00352 1/20 0.34
IDO1 P14902 1/20 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
SCHEMBL7870138 0.86 PTPRC (0.42) ERN1GPR35S100A4CYP2A6PTPRC
SCHEMBL1632823 0.82 ERN1 (0.52) ERN1CYP2A6PABPC1PTPN1BACE1
SCHEMBL2841295 0.79 GPR35 (0.59) GPR35S100A4CYP2A6PABPC1PTPRC
SCHEMBL5490878 0.79 PRKDC (0.46) ERN1KDM4EPTGDR2ALDH1A1MAPT
SCHEMBL3360989 0.77 PTPRC (0.47) ERN1S100A4CYP2A6PTPRCPTPN1
SCHEMBL3589058 0.75 PTPRC (0.42) ERN1GPR35CYP2A6PTPRCKDM4E
SCHEMBL16050088 0.74 ERN1 (0.44) ERN1S100A4CYP2A6PTPRCPTPN1
SCHEMBL791039 0.74 ERN1 (0.57) ERN1GPR35CYP2A6PABPC1PTPN1
SCHEMBL203395 0.73 ERN1 (0.61) ERN1S100A4CYP2A6PTPRCPTPN1
SCHEMBL16555178 0.72 AKR1C3 (0.46) ERN1S100A4CYP2A6PTPRCPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7250410-B2 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof VIA PHARMACEUTICALS, INC. (US) 2007-07-31 US disclosed
US-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof BAY CITY CAPITAL LLC 2004-08-05 US disclosed
EP-1392663-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS, PREPARATION AND USES THEREOF NEURO3D (FR) 2004-03-03 EP disclosed
WO-2002098865-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS, PREPARATION AND USES THEREOF NEURO3D (FR) 2002-12-12 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-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof PDE7A, PDE3B, PDE3A ERN1 1904/4885GPR35 582/4885S100A4 4860/4885

“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.