SCHEMBL13384765

SCHEMBL13384765

COc1ccc2cc(C#N)c(=O)n(-c3ccc(C)c(C#N)c3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ GLA P06280 2/20 0.44
▸ TDP2 O95551 2/20 0.43
▸ CYP19A1 P11511 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ GAA P10253 3/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ L3MBTL1 Q9Y468 4/20 0.38
▸ PPARG P37231 1/20 0.38
▸ NCOA2 Q15596 1/20 0.38
▸ NCOA1 Q15788 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ NCOA3 Q9Y6Q9 1/20 0.38
▸ ESRRA P11474 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37

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
SCHEMBL13384764 0.84 KDM4E (0.35) KDM4EGLAALDH1A1GAAHPGD
SCHEMBL13384775 0.83 KDM4E (0.40) KDM4EGLATDP2ALDH1A1GAA
SCHEMBL13384791 0.83 KDM4E (0.41) KDM4EMEN1KMT2AGLATDP2
SCHEMBL13384773 0.83 TDP2 (0.43) KDM4ETDP2ALDH1A1GAAHPGD
SCHEMBL13384774 0.82 MAPK14 (0.40) KDM4EGLAALDH1A1GAAHPGD
SCHEMBL13384798 0.81 KDM4E (0.47) KDM4EMEN1KMT2AGLAALDH1A1
SCHEMBL13384703 0.81 HTT (0.51) KDM4EMEN1KMT2AGLATDP2
SCHEMBL13384732 0.80 KDM4E (0.42) KDM4EMEN1KMT2AGLATDP2
SCHEMBL13384767 0.79 HTT (0.40) KDM4EMEN1KMT2AALDH1A1RXFP1
SCHEMBL13384770 0.79 ALDH1A1 (0.42) KDM4EMEN1KMT2AALDH1A1GAA

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-20100087649-A1 QUINOLINONE DERIVATIVES TIBOTEC BVBA (BE) 2010-04-08 — — US disclosed
US-20100087649-A1 QUINOLINONE DERIVATIVES TIBOTEC BVBA (BE) 2010-04-08 — — US disclosed
WO-2008037784-A1 QUINOLINONE DERIVATIVES TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-04-03 — — 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-20100087649-A1 QUINOLINONE DERIVATIVES CHRM1, CYP2C8, CCR8 KDM4E 2122/4885MEN1 3257/4885KMT2A 3060/4885

“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.

Send feedback