SCHEMBL5489910

SCHEMBL5489910

CCOc1cc(N)c(-c2ccccc2C=O)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 4/20 0.41
PDE4D Q08499 6/20 0.40
PDE4A P27815 4/20 0.40
PDE4B Q07343 4/20 0.40
PDE4C Q08493 4/20 0.40
ERN1 O75460 5/20 0.40
CTSG P08311 1/20 0.40
KLK7 P49862 1/20 0.40
KLK14 Q9P0G3 1/20 0.40
KLK5 Q9Y337 1/20 0.40
MAPK1 P28482 1/20 0.39
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL5492569 0.90 ALDH1A1 (0.46) KDM4ELMNAGAAMAPTALDH1A1
SCHEMBL29955060 0.80 ALDH1A1 (0.56) KDM4ELMNAGAAMAPTALDH1A1
SCHEMBL5486093 0.77 PRKDC (0.45) KDM4ELMNAMAPTALDH1A1ERN1
SCHEMBL6545157 0.77 ALDH1A1 (0.55) KDM4ELMNAMAPTALDH1A1ERN1
SCHEMBL21000852 0.73 KDM4E (0.60) KDM4EGAAMAPTALDH1A1PDE4D
SCHEMBL5490878 0.72 PRKDC (0.46) KDM4ELMNAGAAMAPTALDH1A1
SCHEMBL2761533 0.72 ALDH1A1 (0.74) KDM4ELMNAMAPTALDH1A1PDE4D
SCHEMBL2474418 0.71 ERN1 (0.57) KDM4ELMNAGAAALDH1A1ERN1
SCHEMBL15618978 0.71 ERN1 (0.53) KDM4ELMNAGAAMAPTALDH1A1
SCHEMBL5489380 0.70 PRKDC (0.47) KDM4ELMNAMAPTALDH1A1ERN1

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 2914/4885LMNA 1410/4885GAA 266/4885

“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.