SCHEMBL4835106

SCHEMBL4835106

COc1ccc2c(c1)C(=CC(=O)c1ccc(NC(=O)C(C)C)cc1)NC(C)(C)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 3/20 0.44
ALDH1A1 P00352 6/20 0.42
LMNA P02545 5/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 6/20 0.42
MEN1 O00255 2/20 0.42
MTNR1A P48039 1/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP3A4 P08684 2/20 0.39
HTT P42858 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 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
SCHEMBL4835092 1.00 MTNR1B (0.44) MTNR1BALDH1A1LMNAMAPTKDM4E
SCHEMBL4838419 0.93 LMNA (0.39) MTNR1BALDH1A1LMNAMAPTKDM4E
SCHEMBL4838431 0.93 LMNA (0.39) MTNR1BALDH1A1LMNAMAPTKDM4E
SCHEMBL4844581 0.91 LMNA (0.41) MTNR1BALDH1A1LMNAMAPTKDM4E
SCHEMBL4844598 0.91 LMNA (0.41) MTNR1BALDH1A1LMNAMAPTKDM4E
SCHEMBL4839999 0.90 KDM4E (0.42) ALDH1A1LMNAMAPTKDM4EKMT2A
SCHEMBL4839986 0.90 KDM4E (0.42) ALDH1A1LMNAMAPTKDM4EKMT2A
SCHEMBL4844822 0.90 MAPT (0.44) MTNR1BALDH1A1LMNAMAPTKDM4E
SCHEMBL4841992 0.90 LMNA (0.42) ALDH1A1LMNAMAPTKDM4EKMT2A
SCHEMBL4842007 0.90 LMNA (0.42) ALDH1A1LMNAMAPTKDM4EKMT2A

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-7378428-B2 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-27 US disclosed
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 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-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient PARK7, MMP8, CDK7 MTNR1B 410/4885ALDH1A1 2636/4885LMNA 3014/4885

“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.