SCHEMBL3341002

SCHEMBL3341002

COc1cc(C)c(C)c(C(N)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.46
KDM4E B2RXH2 2/20 0.44
CYP3A4 P08684 3/20 0.43
HPGD P15428 2/20 0.43
PARP1 P09874 2/20 0.42
PARP10 Q53GL7 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
PARP4 Q9UKK3 1/20 0.42
PDK2 Q15119 1/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
MAPK8 P45983 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL2154766 0.83 NNMT (0.45) NNMTKDM4ECYP3A4HPGDPARP1
SCHEMBL3911893 0.81 CYP3A4 (0.56) KDM4ECYP3A4HPGDCA1CA2
SCHEMBL7123880 0.78 CYP3A4 (0.56) NNMTKDM4ECYP3A4HPGDPARP1
SCHEMBL2855495 0.77 KDM4E (0.55) NNMTKDM4ECYP3A4HPGDPARP1
SCHEMBL2542278 0.77 HTT (0.58) NNMTKDM4ECYP3A4HPGDPARP1
Hydrochloric Acid SCHEMBL1823813 0.76 HTT (0.57) NNMTKDM4ECYP3A4HPGDPARP1
SCHEMBL1004219 0.75 KDM4E (0.50) NNMTKDM4EPARP1CA1CA2
SCHEMBL2633660 0.73 ALDH1A1 (0.59) KDM4ECYP3A4HPGDCA1CA2
SCHEMBL30052013 0.73 MAPT (0.66) KDM4EHPGDPARP1PARP10CA1
SCHEMBL1086016 0.73 MAPT (0.66) KDM4EHPGDPARP1PARP10CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288552-B2 Dihydropyridone amidesas P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-10-16 US claimed
EP-2393781-B1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS P2RY1, P2RX1, P2RX3 NNMT 899/4885KDM4E 2644/4885CYP3A4 1966/4885

“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.