SCHEMBL7158657

SCHEMBL7158657

CCOC(=O)C(=CNc1ccncc1)C(=O)c1cccnc1Cl

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.53
CYP2C19 P33261 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP1A2 P05177 1/20 0.53
MAPK1 P28482 1/20 0.53
DHODH Q02127 3/20 0.50
NPSR1 Q6W5P4 5/20 0.48
KDM4E B2RXH2 4/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 2/20 0.43
NPC1 O15118 1/20 0.41
TSHR P16473 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
SCHEMBL7158653 1.00 MAPT (0.53) MAPTCYP2C19CYP3A4CYP2D6CYP1A2
SCHEMBL7157291 0.89 MAPT (0.57) MAPTCYP2C19CYP3A4CYP2D6CYP1A2
SCHEMBL7157293 0.89 MAPT (0.57) MAPTCYP2C19CYP3A4CYP2D6CYP1A2
SCHEMBL7158660 0.89 DHODH (0.51) MAPTCYP2C19CYP3A4CYP2D6CYP1A2
SCHEMBL7153389 0.89 DHODH (0.51) MAPTCYP2C19CYP3A4CYP2D6CYP1A2
SCHEMBL8246814 0.86 GAA (0.54) MAPTCYP2C19CYP3A4CYP2D6CYP1A2
SCHEMBL7157936 0.84 NPSR1 (0.55) MAPTCYP2C19CYP3A4CYP2D6CYP1A2
SCHEMBL7157937 0.84 NPSR1 (0.55) MAPTCYP2C19CYP3A4CYP2D6CYP1A2
SCHEMBL8246811 0.84 DHODH (0.50) MAPTCYP2C19CYP3A4CYP2D6CYP1A2
SCHEMBL1566802 0.84 DHODH (0.50) MAPTCYP2C19CYP3A4CYP2D6CYP1A2

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-6541480-B2 Controlling cytokines SUNTORY LIMITED (JP) 2003-04-01 US disclosed
US-20020006935-A1 1-aryl-1,8-naphthylidin-4-one derivative as type IV phosphodiesterase inhibitor DAIICHI ASUBIO PHARMA CO., LTD. (JP) 2002-01-17 US disclosed
US-6297248-B1 1-aryl-1,8-naphthylidin-4-one derivative as type IV phosphodiesterase inhibitor SUNTORY LIMITED (JP) 2001-10-02 US disclosed
EP-0958297-A1 1-ARYL-1,8-NAPHTHYLIDIN-4-ONE DERIVATIVE AS TYPE IV PHOSPHODIESTERASE INHIBITOR SUNTORY LIMITED (JP) 1999-11-24 EP disclosed
WO-1999007704-A1 1-ARYL-1,8-NAPHTHYLIDIN-4-ONE DERIVATIVE AS TYPE IV PHOSPHODIESTERASE INHIBITOR SUNTORY LIMITED (JP) 1999-02-18 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-20020006935-A1 1-aryl-1,8-naphthylidin-4-one derivative as type IV phosphodiesterase inhibitor PDE3A, PDE5A, PDE3B MAPT 4826/4885CYP2C19 491/4885CYP3A4 297/4885

“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.