SCHEMBL20801766

SCHEMBL20801766

CC(C)(C)Cc1ccc2c(c1)N1CCCCC1C(=O)N2

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.58
KMT2A Q03164 4/20 0.57
CHEK1 O14757 1/20 0.54
MAP2K1 Q02750 1/20 0.54
MEN1 O00255 3/20 0.53
ALDH1A1 P00352 5/20 0.52
GAA P10253 5/20 0.52
KDM4E B2RXH2 4/20 0.52
MAPT P10636 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 2/20 0.46
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HTR2C P28335 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
NTRK1 P04629 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
SCHEMBL15828684 0.81 KMT2A (0.71) PARP1KMT2ACHEK1MAP2K1MEN1
SCHEMBL14754066 0.80 KMT2A (0.61) PARP1KMT2ACHEK1MAP2K1MEN1
SCHEMBL19737652 0.77 KMT2A (0.57) PARP1KMT2ACHEK1MAP2K1MEN1
SCHEMBL30928116 0.74 PARP1 (0.76) PARP1KMT2ACHEK1MAP2K1MEN1
SCHEMBL3073571 0.74 PARP1 (1.00) PARP1KMT2ACHEK1MAP2K1MEN1
SCHEMBL8080267 0.74 ALDH1A1 (0.91) PARP1KMT2ACHEK1MAP2K1MEN1
SCHEMBL3082359 0.74 PARP1 (0.85) PARP1KMT2ACHEK1MAP2K1MEN1
SCHEMBL3061740 0.73 PARP1 (1.00) PARP1KMT2ACHEK1MAP2K1MEN1
SCHEMBL31694053 0.73 KMT2A (0.66) PARP1KMT2ACHEK1MAP2K1MEN1
SCHEMBL6540956 0.73 KMT2A (0.66) PARP1KMT2ACHEK1MAP2K1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190077762-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2019-03-14 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-20190077762-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 PARP1 1482/4885KMT2A 3807/4885CHEK1 1382/4885

“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.