SCHEMBL567300

SCHEMBL567300

CC(C)(C)OC(=O)NCCCCC(N)CN(CCCO)C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.53
CA14 Q9ULX7 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 1/20 0.45
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CA1 P00915 10/20 0.38
CA2 P00918 10/20 0.38
CA12 O43570 6/20 0.38
CA9 Q16790 6/20 0.38
ATM Q13315 1/20 0.35
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL567298 1.00 TDP1 (0.53) TDP1CA14MEN1KMT2AGAA
SCHEMBL13327079 0.84 TDP1 (0.60) TDP1CA14MEN1KMT2AGAA
SCHEMBL20491580 0.84 TDP1 (0.66) TDP1CA14MEN1KMT2AGAA
SCHEMBL19050938 0.82 TDP1 (0.55) TDP1CA14MEN1KMT2AGAA
SCHEMBL16349550 0.81 TDP1 (0.57) TDP1CA14MEN1KMT2AGAA
SCHEMBL17972765 0.80 TDP1 (0.51) TDP1CA14MEN1KMT2AGAA
SCHEMBL31329717 0.80 TDP1 (0.69) TDP1CA14MEN1KMT2AGAA
SCHEMBL13055410 0.79 CA14 (0.68) TDP1CA14MEN1KMT2AGAA
SCHEMBL8714161 0.79 CA14 (0.68) TDP1CA14MEN1KMT2AGAA
SCHEMBL10640692 0.79 CA14 (0.52) TDP1CA14MEN1KMT2AGAA

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 TDP1 3049/4885CA14 3443/4885MEN1 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.