SCHEMBL13850828

SCHEMBL13850828

CC(=O)c1cc(C)c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.42
MAOA P21397 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
LRRK2 Q5S007 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
SCHEMBL13850774 0.93 PTGER1 (0.41) MAOBSMN1; SMN2L3MBTL1LMNAMAPT
SCHEMBL13850850 0.87 MAPT (0.42) MAOBMAOAMEN1KMT2AL3MBTL1
SCHEMBL13851252 0.86 GRM2 (0.39) MAOBMAOASMN1; SMN2MAPT
SCHEMBL13850771 0.83 LMNA (0.42) MAOBMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL13850826 0.81 MAOB (0.41) MAOBMAOA
SCHEMBL13850761 0.80 MAPT (0.43) L3MBTL1LMNAMAPTTDP1FFAR4
SCHEMBL13850852 0.80 MAPT (0.41) MEN1KMT2AL3MBTL1LMNAMAPT
SCHEMBL3845832 0.80 LMNA (0.39) MAOBKMT2ASMN1; SMN2L3MBTL1LMNA
SCHEMBL13850816 0.79 MAPT (0.42) L3MBTL1LMNAMAPTFFAR4
SCHEMBL13850849 0.79 MAPT (0.42) KMT2AL3MBTL1LMNAMAPTTDP1

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-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase MURAI HITOSHI 2009-05-07 US disclosed
US-7358249-B2 Heterocyclic compounds having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2008-04-15 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-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase CYP3A7, CDK7, CYP2A7 MAOB 741/4885MAOA 1268/4885MEN1 3893/4885

“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.