SCHEMBL5484434

SCHEMBL5484434

COc1cc2c(cc1OC)C(=O)NNC(=O)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 1/20 0.45
ACHE P22303 1/20 0.44
TDP2 O95551 2/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CHEK1 O14757 4/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
PDGFRB P09619 1/20 0.40
SLC2A1 P11166 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
ABCB1 P08183 1/20 0.39

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
SCHEMBL3560449 0.84 TDP2 (0.57) CYP3A4CYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL10645877 0.74 CYP3A4 (0.62) CYP3A4CYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL31369146 0.74 CYP3A4 (0.62) CYP3A4MAPTACHEMEN1KMT2A
SCHEMBL16156009 0.74 CYP3A4 (0.56) CYP3A4CYP2C19MAPTACHEMEN1
SCHEMBL3565605 0.73 TDP2 (0.53) CYP3A4CYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL10200127 0.73 CYP3A4 (0.49) CYP3A4MAPTACHEMEN1KMT2A
SCHEMBL7981630 0.72 MAPT (0.75) CYP3A4MAPTACHEMEN1KMT2A
SCHEMBL10980079 0.72 CYP3A4 (0.60) CYP3A4CYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL14472881 0.72 TDP2 (0.52) ACHETDP2CHEK1MAOA
SCHEMBL5491406 0.72 GAA (0.49) CYP3A4CYP1A2CYP2C9MAPK1CYP2C19

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 2 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

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 CYP3A4 264/4885CYP1A2 155/4885CYP2C9 206/4885

“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.