SCHEMBL567235

SCHEMBL567235

CC(C)(CO)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 4/20 0.48
ALDH1A1 P00352 1/20 0.48
RIPK1 Q13546 2/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
RECQL P46063 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL17258048 0.86 KMT2A (0.51) KMT2AMEN1HTTL3MBTL1LMNA
SCHEMBL21193581 0.85 RAB9A (0.51) KMT2AMEN1HTTL3MBTL1LMNA
SCHEMBL20163753 0.84 MEN1 (0.53) KMT2AMEN1HTTL3MBTL1LMNA
SCHEMBL27517789 0.83 MEN1 (0.49) KMT2AMEN1HTTL3MBTL1LMNA
SCHEMBL16402839 0.82 MEN1 (0.46) KMT2AMEN1HTTL3MBTL1LMNA
SCHEMBL8773482 0.82 MEN1 (0.69) KMT2AMEN1HTTL3MBTL1LMNA
SCHEMBL20974220 0.81 KMT2A (0.49) KMT2AMEN1HTTL3MBTL1LMNA
SCHEMBL2875452 0.81 MEN1 (0.50) KMT2AMEN1HTTL3MBTL1LMNA
SCHEMBL17258003 0.81 MEN1 (0.54) KMT2AMEN1HTTL3MBTL1LMNA
SCHEMBL17467189 0.80 KMT2A (0.49) KMT2AMEN1HTTL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2444395-B1 SUBSTITUTED ISOQUINOLINE DERIVATIVE WESTERN THERAPEUTICS INST INC D (JP) 2016-01-06 EP disclosed
US-8951997-B2 Substituted isoquinoline derivative D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2015-02-10 US disclosed
EP-2444395-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. Western Therapeutics Institute, Inc. (JP) 2012-04-25 EP disclosed
US-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. WESTERN THERAPEUTICS INSTITUTE, INC (JP) 2012-02-09 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-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE SULT1A1, SULT1E1, SULT2A1 KMT2A 1007/4885MEN1 3295/4885HTT 3349/4885

“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.