SCHEMBL5492316

SCHEMBL5492316

COc1ccc(-c2ccc(C3=NN(C)C(=O)Cc4cc(OC)c(OC)cc43)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
PDE2A O00408 1/20 0.43
KDM4E B2RXH2 1/20 0.43
APP P05067 1/20 0.42
PDE10A Q9Y233 1/20 0.41
TDP2 O95551 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
ABCB1 P08183 2/20 0.40
BRD4 O60885 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL5484921 0.90 CYP1A2 (0.50) ALDH1A1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL5486160 0.90 MAPK1 (0.46) ALDH1A1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL5493764 0.89 MAPK1 (0.49) ALDH1A1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL29942019 0.88 CYP1A2 (0.62) ALDH1A1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL5492941 0.88 CYP1A2 (0.47) ALDH1A1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL5484053 0.88 CYP1A2 (0.50) ALDH1A1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL5486147 0.88 MAPK1 (0.47) ALDH1A1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL6626258 0.87 NR1H4 (0.43) ALDH1A1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL5493021 0.86 CYP1A2 (0.47) ALDH1A1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL5490244 0.86 CYP1A2 (0.46) ALDH1A1LMNACYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof BAY CITY CAPITAL LLC 2004-08-05 US claimed
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 395/4885LMNA 1410/4885CYP1A2 155/4885

“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.