SCHEMBL5664883

SCHEMBL5664883

COc1ccc(C(=O)O[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.45
MAOB P27338 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
EPHX2 P34913 3/20 0.44
HPGDS O60760 1/20 0.44
CACNA1B Q00975 2/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 2/20 0.43
FAAH O00519 1/20 0.43
MAPT P10636 3/20 0.42
BTK Q06187 2/20 0.42
ELANE P08246 1/20 0.42
CACNB4 O00305 1/20 0.42
CACNA1A O00555 1/20 0.42
CACNA1G O43497 1/20 0.42
CACNG3 O60359 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
SCHEMBL5664879 1.00 KDM1A (0.45) KDM1AMAOBCA1CA2EPHX2
SCHEMBL2960874 0.88 SCN1A (0.52) KDM1AMAOBEPHX2ALDH1A1RAB9A
SCHEMBL2960876 0.88 SCN1A (0.52) KDM1AMAOBEPHX2ALDH1A1RAB9A
SCHEMBL4269074 0.86 CACNA1B (0.48) KDM1AMAOBEPHX2CACNA1BRAB9A
SCHEMBL4269079 0.86 CACNA1B (0.48) KDM1AMAOBEPHX2CACNA1BRAB9A
SCHEMBL29632355 0.85 HPGDS (0.56) KDM1AMAOBHPGDSALDH1A1RAB9A
SCHEMBL31114455 0.84 EPHX2 (0.59) KDM1AMAOBEPHX2FAAH
SCHEMBL8292798 0.82 PTPN2 (0.55) KDM1AMAOBEPHX2ALDH1A1SMN1; SMN2
SCHEMBL14612114 0.82 PTPN2 (0.55) KDM1AMAOBEPHX2ALDH1A1SMN1; SMN2
SCHEMBL4544921 0.81 CA1 (0.60) CA1CA2RAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7094789-B2 5-substituted isoquinoline derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2006-08-22 US 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 KDM1A 1609/4885MAOB 3029/4885CA1 3439/4885

“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.