SCHEMBL15906131

SCHEMBL15906131

COc1ccc(Cn2cc(NC(N)=O)ccc2=O)cc1-c1cccc(C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.56
MAPT P10636 4/20 0.46
TP53 P04637 7/20 0.45
LMNA P02545 4/20 0.45
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
XBP1 P17861 1/20 0.43
MAPK1 P28482 1/20 0.43
HTR1E P28566 1/20 0.43
NTSR1 P30989 1/20 0.43
STAT3 P40763 1/20 0.43
STAT1 P42224 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
S1PR3 Q99500 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43

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
SCHEMBL15906163 0.91 MAPT (0.46) PDE4DMAPTTP53LMNAALDH1A1
SCHEMBL8055946 0.90 PDE4D (0.55) PDE4DMAPTTP53LMNAALDH1A1
SCHEMBL4315726 0.87 PDE4D (0.52) PDE4DMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL15906145 0.85 MAPT (0.46) PDE4DMAPTTP53LMNAMAPK1
SCHEMBL15906132 0.83 PDE4B (0.43) PDE4DMAPTTP53LMNACYP3A4
SCHEMBL8055203 0.81 PDE4D (0.44) PDE4DMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL15906142 0.79 CYP11B1 (0.46) MAPTKDM4EPDE4BKMT2A
SCHEMBL4332959 0.78 MEN1 (0.47) PDE4DMAPTLMNAALDH1A1HPGD
SCHEMBL15906190 0.78 PDE4D (0.42) PDE4DMAPTTP53LMNAALDH1A1
SCHEMBL15906155 0.78 MAPT (0.46) MAPTTP53LMNAKDM4EPDE4B

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-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2014-10-09 US disclosed
US-8791267-B2 Biaryl PDE4 inhibitors for treating inflammatory, cardiovascular and CNS disorders DECODE GENETICS EHF (IS) 2014-07-29 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-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B PDE4D 7/4885MAPT 1932/4885TP53 4860/4885

“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.