SCHEMBL529396

SCHEMBL529396

CC(C)(C)OC(=O)N1CCCC(Nc2ccc(N)cn2)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 6/20 0.49
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
BTK Q06187 2/20 0.47
PARP1 P09874 1/20 0.47
PIK3CD O00329 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
FPR3 P25089 1/20 0.44
FPR2 P25090 1/20 0.44
ALDH1A1 P00352 1/20 0.44
JAK1 P23458 1/20 0.44
EPHX1 P07099 1/20 0.44
HPGDS O60760 1/20 0.43
SYK P43405 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
SCHEMBL595857 0.94 USP30 (0.54) USP30DDB1CRBNBTKPARP1
SCHEMBL596064 0.94 USP30 (0.54) USP30DDB1CRBNBTKPARP1
SCHEMBL529343 0.94 USP30 (0.54) USP30DDB1CRBNBTKPARP1
SCHEMBL18937698 0.88 USP30 (0.49) USP30DDB1CRBNBTKPARP1
SCHEMBL595609 0.88 ALDH1A1 (0.57) USP30DDB1CRBNBTKALDH1A1
SCHEMBL1030155 0.87 FPR2 (0.53) USP30DDB1CRBNBTKPARP1
SCHEMBL28679078 0.87 USP30 (0.48) USP30DDB1CRBNBTKPARP1
SCHEMBL28679080 0.87 USP30 (0.48) USP30DDB1CRBNBTKPARP1
SCHEMBL889050 0.87 FPR2 (0.53) USP30DDB1CRBNBTKPARP1
SCHEMBL29518151 0.87 USP30 (0.48) USP30DDB1CRBNBTKPARP1

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
EP-2597955-B1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE INC (JP) 2016-01-20 EP disclosed
US-9120749-B2 Quinoline derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-09-01 US disclosed
US-9120749-B2 Quinoline derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-09-01 US disclosed
US-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-08-22 US disclosed
US-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-08-22 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-20130217671-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME MELK, NADK, NEK1 USP30 3036/4885DDB1 757/4885CRBN 1397/4885

“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.