SCHEMBL5484401

SCHEMBL5484401

COc1cc(N)c(C(=O)c2ccccc2Br)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 3/20 0.44
HSD17B10 Q99714 2/20 0.44
ALOX15 P16050 1/20 0.44
RAB9A P51151 2/20 0.43
MAPK13 O15264 2/20 0.43
MAPK12 P53778 2/20 0.43
MAPK11 Q15759 2/20 0.43
MAPK14 Q16539 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 5/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL3818697 0.85 KDM4E (0.59) KDM4EHPGDLMNAHSD17B10ALOX15
SCHEMBL2605631 0.85 KDM4E (0.71) KDM4ELCKFYNCYP1A2CYP2C19
SCHEMBL11001611 0.84 HPGD (0.48) KDM4ELCKFYNHPGDCYP1A2
SCHEMBL9575507 0.82 CTSD (0.51) LMNAHSD17B10ALOX15RAB9ANPC1
SCHEMBL3821131 0.81 LMNA (0.64) KDM4EHPGDLMNARAB9AMAPK13
SCHEMBL3822305 0.80 RECQL (0.56) HPGDCYP1A2CYP2D6CYP2C19LMNA
SCHEMBL4707952 0.79 MAPT (0.59) KDM4EHPGDCYP1A2CYP2D6CYP2C19
SCHEMBL5490882 0.78 MAPT (0.59) KDM4EHPGDCYP1A2CYP2D6CYP2C19
SCHEMBL11576755 0.77 NPC1 (0.60) HPGDCYP1A2CYP2C19LMNAALOX15
SCHEMBL2601960 0.77 KDM4E (0.61) KDM4ELCKFYNCYP1A2CYP2C19

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 KDM4E 2914/4885LCK 4098/4885FYN 2491/4885

“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.