SCHEMBL12202089

SCHEMBL12202089

C=CC(=C)C1c2ccccc2C(=O)N1C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
CYP1A2 P05177 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 1/20 0.43
P2RX7 Q99572 3/20 0.43
MAPT P10636 2/20 0.41
GAA P10253 3/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
FFAR1 O14842 1/20 0.39
POLB P06746 2/20 0.38
CYP2C9 P11712 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ATM Q13315 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL2597682 0.77 ALDH1A1 (0.53) ALDH1A1KDM4ECYP1A2MEN1KMT2A
SCHEMBL13206625 0.71 MEN1 (0.56) ALDH1A1KDM4ECYP1A2MEN1KMT2A
SCHEMBL22623757 0.71 MEN1 (0.56) ALDH1A1KDM4ECYP1A2MEN1KMT2A
SCHEMBL2173695 0.71 MEN1 (0.56) ALDH1A1KDM4ECYP1A2MEN1KMT2A
SCHEMBL14790130 0.70 ALDH1A1 (0.53) ALDH1A1KDM4ECYP1A2MEN1KMT2A
SCHEMBL13704044 0.69 GPR3 (0.60) ALDH1A1KDM4ECYP1A2MEN1KMT2A
SCHEMBL13704120 0.69 GPR3 (0.60) ALDH1A1KDM4ECYP1A2MEN1KMT2A
SCHEMBL22792110 0.69 GPR3 (0.60) ALDH1A1KDM4ECYP1A2MEN1KMT2A
SCHEMBL7635143 0.67 KDM4E (0.46) ALDH1A1KDM4ECYP1A2MEN1KMT2A
SCHEMBL14579466 0.67 ALDH1A1 (0.50) ALDH1A1KDM4ECYP1A2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034939-B2 1-{3-H-imidazo[4,5-c]pyridin-2-yl}-3,4-dihydro-2H-pyrido[2,1-a] isoindole-6-one; anticarcinogenic agent: solid tumor and leukemia; neurodegenerative diseases: Alzheimer's and Huntington's diseases AVENTIS PHARMA S.A.. (FR) 2011-10-11 US disclosed
US-8034939-B2 1-{3-H-imidazo[4,5-c]pyridin-2-yl}-3,4-dihydro-2H-pyrido[2,1-a] isoindole-6-one; anticarcinogenic agent: solid tumor and leukemia; neurodegenerative diseases: Alzheimer's and Huntington's diseases AVENTIS PHARMA S.A.. (FR) 2011-10-11 US disclosed
EP-1869042-B1 NOVEL ISOINDOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME, PREPARATION THEREOF AND PHARMACEUTICAL USES THEREOF IN PARTICULAR AS INHIBITORS OF CHAPERONE PROTEIN HSP90 ACTIVITIES AVENTIS PHARMA SA (FR) 2011-02-02 EP disclosed
US-20080119507-A1 Novel Isoindole Derivatives, Compositions Containing Same, Preparation Thereof and Pharmaceutical Uses Thereof in Particular as Inhibitors of Chaperone Protein HSP90 Activities AVENTIS PHARMA S.A. (FR) 2008-05-22 US disclosed
US-20080119507-A1 Novel Isoindole Derivatives, Compositions Containing Same, Preparation Thereof and Pharmaceutical Uses Thereof in Particular as Inhibitors of Chaperone Protein HSP90 Activities AVENTIS PHARMA S.A. (FR) 2008-05-22 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-20080119507-A1 Novel Isoindole Derivatives, Compositions Containing Same, Preparation Thereof and Pharmaceutical Uses Thereof in Particular as Inhibitors of Chaperone Protein HSP90 Activities HSP90B1, HSP90AB2P, HSP90AB1 ALDH1A1 1204/4885KDM4E 4283/4885CYP1A2 896/4885

“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.