SCHEMBL15311237

SCHEMBL15311237

CC(N)CN(CC(O)c1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.54
KDM4E B2RXH2 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 4/20 0.43
BCAT2 O15382 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2C P18825 1/20 0.42
HIF1A Q16665 1/20 0.42
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.40
ALOX5 P09917 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
SCHEMBL15311235 1.00 AOC3 (0.54) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL15311236 1.00 AOC3 (0.54) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL15316178 0.82 BACE1 (0.46) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL7996489 0.78 LMNA (0.51) KDM4EMEN1KMT2ALMNAALDH1A1
SCHEMBL4595769 0.77 AOC3 (0.49) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL4732525 0.77 AOC3 (0.47) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL4732524 0.77 AOC3 (0.47) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL11650819 0.76 AOC3 (0.53) AOC3KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL11101163 0.75 AOC3 (0.46) AOC3KDM4EMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL11658826 0.75 AOC3 (0.51) AOC3KDM4EMEN1KMT2ASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2657227-B1 NOVEL SUBSTITUTED ISOQUINOLINE DERIVATIVE WESTERN THERAPEUTICS INST INC D (JP) 2016-04-27 EP disclosed
CN-103270024-B Novel substituted isoquinoline derivative WESTERN THERAPEUTICS INST INC 2015-07-08 CN disclosed
US-8883792-B2 Substituted isoquinoline derivative D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2014-11-11 US disclosed
EP-2657227-A1 NOVEL SUBSTITUTED ISOQUINOLINE DERIVATIVE D. Western Therapeutics Institute, Inc. (JP) 2013-10-30 EP disclosed
US-20130274269-A1 NOVEL SUBSTITUTED ISOQUINOLINE DERIVATIVE D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2013-10-17 US disclosed
CN-103270024-A Novel substituted isoquinoline derivative WESTERN THERAPEUTICS INST INC 2013-08-28 CN 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-20130274269-A1 NOVEL SUBSTITUTED ISOQUINOLINE DERIVATIVE SULT2A1, SULT1A1, SFPQ AOC3 3588/4885KDM4E 3104/4885MEN1 3287/4885

“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.