SCHEMBL1115813

SCHEMBL1115813

C1=C2c3ccccc3CN2CCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.38
BCHE P06276 1/20 0.38
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
APAF1 O14727 1/20 0.34
TDP2 O95551 1/20 0.34
NSD2 O96028 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL1115534 0.89 KMT2A (0.39) ACHEBCHEKMT2AALDH1A1LMNA
SCHEMBL669617 0.78 APAF1 (0.41) ACHEKMT2AALDH1A1LMNAMEN1
SCHEMBL11620336 0.76 APAF1 (0.44) ACHEKMT2AALDH1A1LMNAMEN1
SCHEMBL30832650 0.73 APAF1 (0.43) ACHEALDH1A1APAF1TDP2NSD2
SCHEMBL6092486 0.73 APAF1 (0.43) ACHEALDH1A1APAF1TDP2NSD2
SCHEMBL6904573 0.72 APAF1 (0.46) ACHEALDH1A1LMNAAPAF1TDP2
SCHEMBL687814 0.71 EED (0.47) KMT2ALMNAMEN1SMN1; SMN2MAPT
SCHEMBL687468 0.71 ALDH1A1 (0.44) KMT2AALDH1A1LMNAMEN1SMN1; SMN2
SCHEMBL688041 0.70 EED (0.46) KMT2ALMNAMEN1SMN1; SMN2MAPT
Lithium SCHEMBL688043 0.70 EED (0.46) KMT2ALMNAMEN1SMN1; SMN2MAPT

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
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
EP-1869042-A2 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) 2007-12-26 EP disclosed
WO-2006108948-A2 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) 2006-10-19 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-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 ACHE 4385/4885BCHE 4405/4885KMT2A 4714/4885

“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.