SCHEMBL13423752

SCHEMBL13423752

CC(C)(C)CC(c1cccnc1)N1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.47
KCNH2 Q12809 3/20 0.47
KCNN4 O15554 1/20 0.46
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 1/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
TP53 P04637 3/20 0.42
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
HSP90AA1 P07900 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL11989200 0.81 CYP2C19 (0.57) KCNA5KCNH2ALDH1A1SLC6A2SLC6A4
SCHEMBL3220279 0.80 RPS6KB1 (0.51) KCNA5KCNH2KCNN4ALDH1A1KDM4E
SCHEMBL15797456 0.79 KCNA5 (0.51) KCNA5KCNH2KCNN4ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL3554647 0.79 RPS6KB1 (0.50) KCNA5KCNH2KCNN4ALDH1A1KDM4E
SCHEMBL11627280 0.78 KCNA5 (0.50) KCNA5KCNH2KCNN4ALDH1A1KDM4E
SCHEMBL12435655 0.74 SMN1; SMN2 (0.50) KCNA5KCNN4SLC6A2SLC6A4SLC6A3
SCHEMBL28068531 0.74 ALDH1A1 (0.48) KCNA5KCNH2KCNN4ALDH1A1KDM4E
SCHEMBL11859855 0.74 KCNA5 (0.54) KCNA5KCNH2KCNN4ALDH1A1KDM4E
SCHEMBL30340993 0.73 KCNA5 (0.55) KCNA5KCNH2KCNN4ALDH1A1KDM4E
SCHEMBL12437238 0.72 TP53 (0.45) KCNH2SLC6A2SLC6A4SLC6A3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200071294-A1 ISOQUINOLINE COMPOUNDS, METHODS FOR THEIR PREPARATION, AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF BETA GALACTOSIDASE MINORYX THERAPEUTICS S.L. (ES) 2020-03-05 US disclosed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 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-20200071294-A1 ISOQUINOLINE COMPOUNDS, METHODS FOR THEIR PREPARATION, AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF BETA GALACTOSIDASE GLB1, GBA1, GALC KCNA5 1848/4885KCNH2 1330/4885KCNN4 3701/4885

“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.