SCHEMBL4840454

SCHEMBL4840454

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 6/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2D6 P10635 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 3/20 0.38
HPGD P15428 3/20 0.38
CYP3A4 P08684 2/20 0.38
GAA P10253 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 4/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 2/20 0.37
IMPDH2 P12268 2/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LIPE Q05469 1/20 0.36
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL4840465 1.00 LMNA (0.40) LMNAKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL4841279 0.91 KMT2A (0.41) LMNAKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL4841294 0.91 KMT2A (0.41) LMNAKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL4838538 0.90 MTNR1A (0.44) LMNAKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL4838553 0.90 MTNR1A (0.44) LMNAKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL4844875 0.89 MTNR1A (0.45) LMNAKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL4844893 0.89 MTNR1A (0.45) LMNAKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL4842373 0.89 LMNA (0.40) LMNAKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL4842379 0.89 LMNA (0.40) LMNAKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL4842563 0.88 MTNR1B (0.47) LMNAKDM4EALDH1A1CYP1A2CYP2D6

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 LMNA 3014/4885KDM4E 4466/4885ALDH1A1 2636/4885

“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.