SCHEMBL17174644

SCHEMBL17174644

NC(=O)c1cccn1NC(=O)C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.46
HTT P42858 3/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
RAB9A P51151 2/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
MAPK10 P53779 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
LMNA P02545 2/20 0.39
MAP3K14 Q99558 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTPN1 P18031 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL28339241 0.79 PARP1 (0.37) CYP2C19HTTMAPTRAB9ALMNA
SCHEMBL28339239 0.79 PARP1 (0.37) CYP2C19HTTMAPTRAB9ALMNA
SCHEMBL3313422 0.77 SLC6A2 (0.36) HPGDTSHRRAB9AKDM4ENPC1
SCHEMBL3312267 0.77 MAPK1 (0.39) CYP2C19HTTALDH1A1KDM4E
SCHEMBL1298778 0.74 LMNA (0.38) HPGDRAB9ASIRT2LMNAMAP3K14
SCHEMBL2060019 0.74 LMNA (0.38) CYP2C19HTTMAPTTSHRLMNA
SCHEMBL8127602 0.74 NPC1 (0.53) RAB9ALMNAALDH1A1KDM4ENPC1
SCHEMBL25262175 0.72 LMNA (0.37) CYP2C19TSHRRAB9ALMNAMAP3K14
SCHEMBL15956594 0.70 LMNA (0.42) HTTMAPTRAB9ALMNAMAP3K14
SCHEMBL13088423 0.70 LMNA (0.40) CYP2C19MAPTHPGDTSHRRAB9A

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-20150307520-A1 NOVEL HETEROARYL AND HETEROCYCLE COMPOUNDS, COMPOSITIONS AND METHODS THEREOF HUTCHISON MEDIPHARMA LTD (CN) 2015-10-29 US disclosed
US-20150291593-A1 NOVEL HETEROARYL AND HETEROCYCLE COMPOUNDS, COMPOSITIONS AND METHODS HUTCHISON MEDIPHARMA LTD (CN) 2015-10-15 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 (2 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-20150307520-A1 NOVEL HETEROARYL AND HETEROCYCLE COMPOUNDS, COMPOSITIONS AND METHODS THEREOF PIK3C3, PIK3C2B, PIK3C2A CYP2C19 748/4885HTT 2022/4885MAPT 4847/4885
US-20150291593-A1 NOVEL HETEROARYL AND HETEROCYCLE COMPOUNDS, COMPOSITIONS AND METHODS PIK3C2B, PIK3C3, PIK3C2A CYP2C19 853/4885HTT 1447/4885MAPT 4760/4885

“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.