SCHEMBL1720263

SCHEMBL1720263

Cc1[nH]c(=O)c2cc(Cl)ccc2c1CN1CCC(O)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.52
PIM1 P11309 3/20 0.50
PIM2 Q9P1W9 3/20 0.50
GAA P10253 2/20 0.45
ALOX12 P18054 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CDC7 O00311 1/20 0.45
MCL1 Q07820 2/20 0.42
LMNA P02545 1/20 0.42
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
OPRM1 P35372 2/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL1719552 0.93 CDC7 (0.52) ALDH1A1MEN1KMT2APOLBPIM1
SCHEMBL1720109 0.93 CDC7 (0.52) ALDH1A1MEN1KMT2APOLBPIM1
SCHEMBL1719551 0.93 CDC7 (0.52) ALDH1A1MEN1KMT2APOLBPIM1
SCHEMBL1720551 0.87 KMT2A (0.67) ALDH1A1MEN1KMT2APOLBPIM1
SCHEMBL1720661 0.86 PIM1 (0.48) ALDH1A1MEN1KMT2APOLBPIM1
SCHEMBL1719789 0.86 MCL1 (0.42) ALDH1A1MEN1KMT2AMCL1DRD2
SCHEMBL1721174 0.84 MEN1 (0.51) ALDH1A1MEN1KMT2APOLBGAA
SCHEMBL1719560 0.84 ALDH1A1 (0.55) ALDH1A1MEN1KMT2APOLBPIM1
SCHEMBL1720879 0.84 MAPT (0.51) ALDH1A1MEN1KMT2APOLBGAA
SCHEMBL1721089 0.84 ALDH1A1 (0.52) ALDH1A1MEN1KMT2APOLBPIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501412-B2 Isoquinoline compounds and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-10 US claimed
US-20060094743-A1 Isoquinoline compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-05-04 US claimed
EP-1566380-A1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2005-08-24 EP claimed
EP-1566380-B1 ISOQUINOLINE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-01-11 EP disclosed
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 ALDH1A1 169/4885MEN1 3125/4885KMT2A 1063/4885

“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.