SCHEMBL565994

SCHEMBL565994

CC(C)(CNCCC(O)C(=O)OC(C)(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.47
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CTSS P25774 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
LTA4H P09960 1/20 0.40
CTSL P07711 2/20 0.40
PPARA Q07869 1/20 0.39
CTSK P43235 2/20 0.39
ATM Q13315 1/20 0.39
ABCB1 P08183 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.39
CTSB P07858 1/20 0.39

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
SCHEMBL7941702 0.84 MAPT (0.55) SYKMAPTSMN1; SMN2LMNAABCB1
SCHEMBL24593936 0.77 SYK (0.57) SYKMAPTMEN1KMT2ACTSS
SCHEMBL17860787 0.77 SYK (0.57) SYKMAPTMEN1KMT2ACTSS
SCHEMBL24591298 0.75 ALDH1A1 (0.47) SYKMAPTMEN1KMT2ALMNA
SCHEMBL12156576 0.75 ALDH1A1 (0.47) SYKMAPTMEN1KMT2ALMNA
SCHEMBL12998272 0.75 MEN1 (0.55) SYKMEN1KMT2ACTSSSMN1; SMN2
SCHEMBL486967 0.74 L3MBTL1 (0.49) SYKCTSSSMN1; SMN2LTA4HPPARA
SCHEMBL30598766 0.74 L3MBTL1 (0.49) SYKCTSSSMN1; SMN2LTA4HPPARA
SCHEMBL486968 0.74 L3MBTL1 (0.49) SYKCTSSSMN1; SMN2LTA4HPPARA
SCHEMBL2187429 0.74 MEN1 (0.52) SYKMAPTMEN1KMT2ACTSS

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-102448941-B The isoquinilone derivatives replaced D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2016-04-06 CN disclosed
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 SYK 845/4885MAPT 4257/4885MEN1 3295/4885

“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.