SCHEMBL4405142

SCHEMBL4405142

CC(CN1C(=O)c2ccccc2C1=O)C(=O)CBr

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
ELANE P08246 1/20 0.48
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
KMT2A Q03164 5/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.42
GSK3B P49841 1/20 0.42

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
SCHEMBL11094653 0.82 MAOB (0.47)
SCHEMBL4410547 0.81 ALDH1A1 (0.54) ALDH1A1ELANECA12CA9KMT2A
SCHEMBL13459842 0.81 CA12 (0.55) ALDH1A1ELANECA12CA9KMT2A
SCHEMBL9517322 0.80 ALDH1A1 (0.53) ALDH1A1ELANECA12CA9KMT2A
SCHEMBL28536859 0.77 LMNA (0.58) ALDH1A1KMT2AMAPT
SCHEMBL2599260 0.76 ALDH1A1 (0.47) ALDH1A1ELANECA12CA9KMT2A
SCHEMBL14318320 0.76 ALDH1A1 (0.47) ALDH1A1ELANECA12CA9KMT2A
SCHEMBL12869027 0.76 ALDH1A1 (0.56) ALDH1A1ELANECA12CA9KMT2A
SCHEMBL2599263 0.76 ALDH1A1 (0.47) ALDH1A1ELANECA12CA9KMT2A
SCHEMBL17280822 0.75 ALDH1A1 (0.64) ALDH1A1ELANECA12CA9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130203756-A1 ISOINDOLINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. 2013-08-08 US disclosed
US-20130203756-A1 ISOINDOLINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. 2013-08-08 US disclosed
US-20130203756-A1 ISOINDOLINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. 2013-08-08 US disclosed
WO-2012058133-A1 ISOINDOLINONE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-05-03 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-20130203756-A1 ISOINDOLINE PDE10 INHIBITORS PDE12, PDE10A, PDE4A ALDH1A1 620/4885ELANE 1636/4885CA12 4021/4885

“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.