SCHEMBL567299

SCHEMBL567299

CC(C)(C)OC(=O)NCCCC[C@H](N)CNCCC(O)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 5/20 0.46
CA1 P00915 8/20 0.42
CA2 P00918 8/20 0.42
CA12 O43570 5/20 0.42
CA9 Q16790 5/20 0.42
ATM Q13315 2/20 0.41
NPSR1 Q6W5P4 4/20 0.39
POLB P06746 3/20 0.39
MAPT P10636 2/20 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
SCHEMBL12432860 0.86 MEN1 (0.52) MAOAMAOBMEN1KMT2AGAA
SCHEMBL19611472 0.84 MEN1 (0.59) MAOAMAOBMEN1KMT2AGAA
SCHEMBL19611471 0.84 MEN1 (0.59) MAOAMAOBMEN1KMT2AGAA
SCHEMBL567401 0.80 NOS1 (0.32) MAOAMAOBMEN1KMT2AGAA
SCHEMBL4670568 0.80 MEN1 (0.56) MAOAMAOBMEN1KMT2AGAA
SCHEMBL19416426 0.79 MAOA (0.45) MAOAMAOBMEN1KMT2AGAA
SCHEMBL6357111 0.77 MEN1 (0.58) MAOAMAOBMEN1KMT2AGAA
SCHEMBL1429864 0.77 KMT2A (0.58) MAOAMAOBMEN1KMT2AGAA
SCHEMBL20364081 0.77 MEN1 (0.58) MAOAMAOBMEN1KMT2AGAA
SCHEMBL567296 0.77 NOS1 (0.36) MAOAMAOBMEN1KMT2AGAA

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 MAOA 4083/4885MAOB 4124/4885MEN1 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.