SCHEMBL1720512

SCHEMBL1720512

O=C(c1ccccc1)N1CCC(c2c[nH]c(=O)c3ccccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 1/20 0.53
BRD4 O60885 1/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
CREBBP Q92793 1/20 0.53
ACHE P22303 1/20 0.50
L3MBTL3 Q96JM7 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NOS3 P29474 1/20 0.49
NOS1 P29475 1/20 0.49
SPR P35270 5/20 0.48
EPHX1 P07099 1/20 0.47
ACACB O00763 1/20 0.46
ACACA Q13085 1/20 0.46
HSD11B1 P28845 1/20 0.46
HTR2B P41595 2/20 0.46
SIGMAR1 Q99720 1/20 0.46
HTR1A P08908 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
SCHEMBL1720019 0.93 HSD11B1 (0.52) MEN1KMT2AKDM4EBRD4ALDH1A1
SCHEMBL1719738 0.87 AVPR1A (0.53) MEN1KMT2AKDM4EBRD4ALDH1A1
SCHEMBL1720773 0.87 HSD11B1 (0.51) MEN1KMT2AKDM4EBRD4ALDH1A1
SCHEMBL16801703 0.86 KDM4E (0.72) MEN1KMT2AKDM4EBRD4ALDH1A1
SCHEMBL1720117 0.85 RBP4 (0.54) MEN1KMT2ANOS3NOS1HSD11B1
SCHEMBL1720201 0.81 AVPR1A (0.48) MEN1KMT2AL3MBTL3L3MBTL1HSD11B1
SCHEMBL1719708 0.81 HSD11B1 (0.59) MEN1KMT2AKDM4EALDH1A1L3MBTL3
SCHEMBL10229075 0.81 HSD11B1 (0.45) MEN1KMT2AKDM4EBRD4ALDH1A1
SCHEMBL1720025 0.78 KDM4E (0.57) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL11010527 0.77 DRD2 (0.56) MEN1KMT2AKDM4EBRD4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1566380-B1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-01-11 EP disclosed
US-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US disclosed
US-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US disclosed
US-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US disclosed
US-20060094743-A1 Isoquinoline compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-05-04 US disclosed
EP-1566380-A1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2005-08-24 EP 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-20060094743-A1 Isoquinoline compounds and medicinal use thereof PARP1, NQO1, PARP3 MEN1 3125/4885KMT2A 1063/4885KDM4E 3585/4885

“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.