SCHEMBL16201628

SCHEMBL16201628

CC(C)c1c2n(c3ccccc13)CCN(C)C2=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.36
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 4/20 0.36
RAB9A P51151 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.35
ATM Q13315 1/20 0.35
RECQL P46063 1/20 0.35
MAPT P10636 2/20 0.34
NTRK1 P04629 1/20 0.33
PDE5A O76074 1/20 0.33
USP2 O75604 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PER2 O15055 1/20 0.33
SMARCA4 P51532 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
ADORA3 P0DMS8 1/20 0.32

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
SCHEMBL14996502 0.80 PDE4A (0.44) PDE4AKDM4EALDH1A1RAB9AL3MBTL1
SCHEMBL16201655 0.79 PDE4A (0.41) PDE4A
SCHEMBL16201626 0.78 TSHR (0.44) KDM4EALDH1A1MAPTNTRK1PDE5A
SCHEMBL16201627 0.71 CHRNA7 (0.37) KDM4EALDH1A1MAPTNTRK1HSD17B10
SCHEMBL16201631 0.70 MTNR1A (0.45) KDM4EALDH1A1GAATSHR
SCHEMBL16201625 0.70 LMNA (0.31) KDM4ENTRK1TSHRLMNAADORA3
SCHEMBL16201667 0.67 ALDH1A1 (0.50) KDM4EALDH1A1RAB9AL3MBTL1GAA
SCHEMBL12563374 0.66 HTR2C (0.42) KDM4ERECQLMAPT
SCHEMBL16201666 0.66 CYP1A2 (0.43) KDM4EALDH1A1GAATSHR
SCHEMBL12563372 0.65 HTR2A (0.41) KDM4EMAPT

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-9345905-B2 Heterocyclic amides compounds which are HDAC6 inhibitors and used as anti-tumoral agents NANJING ALLGEN PHARMA CO. LTD. (CN) 2016-05-24 US disclosed
US-20140322229-A1 HETEROCYCLIC AMIDES COMPOUNDS WHICH ARE HDAC6 INHIBITORS AND USED AS ANTI-TUMORAL AGENTS BETA PHARMA CANADA INC. (CA) 2014-10-30 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-20140322229-A1 HETEROCYCLIC AMIDES COMPOUNDS WHICH ARE HDAC6 INHIBITORS AND USED AS ANTI-TUMORAL AGENTS HDAC6, HDAC1, HDAC7 PDE4A 2505/4885KDM4E 1948/4885ALDH1A1 609/4885

“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.