SCHEMBL2027394

SCHEMBL2027394

CC1(C)c2ccccc2C(=O)N1Cc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.72
MDM2 Q00987 14/20 0.56
TP53 P04637 8/20 0.50
ALDH2 P05091 1/20 0.46
CHRM1 P11229 1/20 0.46
CES1 P23141 1/20 0.46
ALDH3A1 P30838 1/20 0.46
ELANE P08246 1/20 0.46
RAF1 P04049 1/20 0.45
BRAF P15056 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL28865712 0.85 ALDH1A1 (0.55) ALDH1A1MDM2TP53
SCHEMBL2022118 0.79 ALDH1A1 (0.66) ALDH1A1MDM2TP53RAF1BRAF
SCHEMBL20184015 0.79 ALDH1A1 (0.48) ALDH1A1MDM2TP53
SCHEMBL2029430 0.79 ALDH1A1 (0.61) ALDH1A1MDM2TP53RAF1BRAF
SCHEMBL30056810 0.78 MDM2 (0.57) ALDH1A1MDM2TP53
SCHEMBL4913570 0.78 ALDH1A1 (0.60) ALDH1A1MDM2TP53RAF1BRAF
SCHEMBL4913579 0.78 ALDH1A1 (0.60) ALDH1A1MDM2TP53RAF1BRAF
SCHEMBL3753252 0.77 ALDH1A1 (0.63) ALDH1A1MDM2TP53RAF1BRAF
SCHEMBL12085874 0.76 ALDH1A1 (0.58) ALDH1A1MDM2TP53RAF1BRAF
SCHEMBL4912136 0.76 MDM2 (0.84) ALDH1A1MDM2RAF1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 US claimed
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
EP-2357169-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators AstraZeneca AB (SE) 2011-08-17 EP disclosed
US-7968570-B2 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-06-28 US disclosed
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 US disclosed
EP-1778634-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS AstraZeneca AB (SE) 2007-05-02 EP disclosed
WO-2006020879-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2006-02-23 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 (2 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-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators GRM1, GRIN1, GRM3 ALDH1A1 1582/4885MDM2 3521/4885TP53 4251/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA ALDH1A1 2216/4885MDM2 2898/4885TP53 2089/4885

“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.