SCHEMBL1720231

SCHEMBL1720231

COC(=O)N1CCC(c2noc(N)c2-c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.44
TDO2 P48775 1/20 0.44
DGAT1 O75907 2/20 0.42
SCD5 Q86SK9 2/20 0.41
MAPK1 P28482 4/20 0.40
PDE10A Q9Y233 1/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
CYP3A4 P08684 4/20 0.39
USP2 O75604 3/20 0.39
HSD17B10 Q99714 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
HIF1A Q16665 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39

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
SCHEMBL1720137 0.89 ALDH1A1 (0.48) BRD4TDO2HSD17B10ALDH1A1MEN1
SCHEMBL31073550 0.72 KCNH2 (0.56) BRD4DGAT1MAPK1CYP3A4ALDH1A1
SCHEMBL29215849 0.71 KDM5A (0.60) BRD4USP2HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL1720529 0.69 ALDH1A1 (0.51) BRD4MAPK1USP2HSD17B10ALDH1A1
SCHEMBL1721044 0.69 MAPK14 (0.41) MAPK1HSD17B10
SCHEMBL24960535 0.68 KDM4E (0.44) USP2HSD17B10ALDH1A1SMN1; SMN2MEN1
SCHEMBL10580308 0.67 KDM4E (0.49) BRD4PDE10AHSD17B10ALDH1A1HIF1A
SCHEMBL12791451 0.67 RAB9A (0.62) ALDH1A1HIF1ANPC1RAB9ASMN1; SMN2
SCHEMBL19493611 0.67 RAB9A (0.62) ALDH1A1HIF1ANPC1RAB9ASMN1; SMN2
SCHEMBL17363113 0.66 CHRM4 (0.58) PDE10AACACBACACA

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
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-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 BRD4 549/4885TDO2 2770/4885DGAT1 1811/4885

“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.