SCHEMBL5492569

SCHEMBL5492569

COc1cc(N)c(-c2ccccc2C=O)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ERN1 O75460 6/20 0.46
TLR2 O60603 1/20 0.44
TLR1 Q15399 1/20 0.44
TLR6 Q9Y2C9 1/20 0.44
PRKDC P78527 1/20 0.42
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 1/20 0.41
FGB P02675 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL5489910 0.90 KDM4E (0.42) ALDH1A1TDP1TSHRKDM4EERN1
SCHEMBL5486093 0.85 PRKDC (0.45) ALDH1A1TDP1TSHRKDM4EERN1
SCHEMBL6545157 0.85 ALDH1A1 (0.55) ALDH1A1TDP1TSHRKDM4EERN1
SCHEMBL5490878 0.80 PRKDC (0.46) ALDH1A1TDP1TSHRKDM4EERN1
SCHEMBL2474418 0.79 ERN1 (0.57) ALDH1A1TDP1TSHRKDM4EERN1
SCHEMBL15618978 0.79 ERN1 (0.53) ALDH1A1TDP1TSHRKDM4EERN1
SCHEMBL5489380 0.78 PRKDC (0.47) ALDH1A1TDP1TSHRKDM4EERN1
SCHEMBL28339602 0.77 ERN1 (0.47) ALDH1A1TDP1TSHRKDM4EERN1
SCHEMBL19127752 0.75 ERN1 (0.56) ALDH1A1TDP1TSHRKDM4EERN1
SCHEMBL25622473 0.75 ERN1 (0.47) ALDH1A1TDP1TSHRKDM4EERN1

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 ALDH1A1 395/4885TDP1 109/4885TSHR 1367/4885

“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.