SCHEMBL5663277

SCHEMBL5663277

[CH2]CC(=O)N(C)C1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
SIGMAR1 Q99720 1/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
PKM P14618 1/20 0.41
NPBWR1 P48145 1/20 0.41
FAAH O00519 1/20 0.41
PHGDH O43175 1/20 0.41
MGLL Q99685 1/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
PABPC1 P11940 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL5662945 0.98 ALDH1A1 (0.56) ALDH1A1SIGMAR1KMT2AMEN1NPSR1
SCHEMBL4156333 0.91
SCHEMBL4157539 0.82 CHRM1 (0.41) ALDH1A1SIGMAR1TSHR
SCHEMBL2930316 0.82 ALDH1A1 (0.53) ALDH1A1SIGMAR1KMT2AMEN1NPSR1
SCHEMBL6392070 0.80 ALDH1A1 (0.55) ALDH1A1SIGMAR1KMT2AMEN1NPSR1
SCHEMBL7129642 0.80 ALDH1A1 (0.59) ALDH1A1SIGMAR1KMT2AMEN1NPSR1
SCHEMBL10723835 0.80 ALDH1A1 (0.59) ALDH1A1SIGMAR1KMT2AMEN1NPSR1
SCHEMBL9124430 0.79 ALDH1A1 (0.47) ALDH1A1SIGMAR1KMT2AMEN1NPSR1
SCHEMBL8391567 0.78 ALDH1A1 (0.53) ALDH1A1SIGMAR1KMT2AMEN1NPSR1
SCHEMBL5143783 0.78 ALDH1A1 (0.58) ALDH1A1SIGMAR1KMT2AMEN1NPSR1

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
CN-100354264-C 5-substituted isoquinoline derivatives and drugs containing them ASAHI KASEI PHARMA CORP (JP) 2007-12-12 CN disclosed
US-7094789-B2 5-substituted isoquinoline derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2006-08-22 US disclosed
CN-1668600-A 5-substituted isoquinoline derivatives ASAHI KASEI PHARMA CORP (JP) 2005-09-14 CN disclosed
EP-1541559-A1 5-SUBSTITUTED ISOQUINOLINE DERIVATIVE Asahi Kasei Pharma Corporation (JP) 2005-06-15 EP disclosed
US-20050020623-A1 5-Substituted isoquinoline derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2005-01-27 US 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-20050020623-A1 5-Substituted isoquinoline derivatives MYLK, MYLK2, MYL12A ALDH1A1 2534/4885SIGMAR1 1616/4885KMT2A 2010/4885

“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.