SCHEMBL1721174

SCHEMBL1721174

Cc1[nH]c(=O)c2cc(Cl)ccc2c1CN1CCC(c2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 2/20 0.49
POLB P06746 1/20 0.48
PARP1 P09874 5/20 0.46
OPRM1 P35372 3/20 0.46
OPRK1 P41145 2/20 0.46
OPRL1 P41146 1/20 0.44
NR3C1 P04150 2/20 0.44
PGR P06401 1/20 0.44
NR3C2 P08235 1/20 0.44
ACHE P22303 1/20 0.44
DRD2 P14416 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PARP2 Q9UGN5 2/20 0.43
AVPR1A P37288 1/20 0.42

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
SCHEMBL1720627 0.88 KDM4E (0.53) MEN1KMT2AALDH1A1KDM4EPARP1
SCHEMBL1720128 0.87 KDM4E (0.49) MEN1KMT2AALDH1A1KDM4EPARP1
SCHEMBL1720716 0.85 ALDH1A1 (0.59) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL1720263 0.84 ALDH1A1 (0.52) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL1720551 0.83 KMT2A (0.67) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL1720790 0.83 ALDH1A1 (0.50) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL1719560 0.81 ALDH1A1 (0.55) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL1719552 0.81 CDC7 (0.52) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL1719551 0.81 CDC7 (0.52) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL1720109 0.81 CDC7 (0.52) MEN1KMT2AALDH1A1KDM4EPOLB

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 9 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
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 1063/4885ALDH1A1 169/4885

“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.