SCHEMBL16201625

SCHEMBL16201625

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
PRKD3 O94806 1/20 0.31
PRKCG P05129 1/20 0.31
PRKCB P05771 1/20 0.31
PRKCA P17252 1/20 0.31
PRKCH P24723 1/20 0.31
PRKCI P41743 1/20 0.31
PRKCE Q02156 1/20 0.31
PRKCQ Q04759 1/20 0.31
PRKCZ Q05513 1/20 0.31
PRKCD Q05655 1/20 0.31
PRKD1 Q15139 1/20 0.31
GPR3 P46089 1/20 0.31
CHRM2 P08172 2/20 0.31
CHRNA7 P36544 2/20 0.31
KDM4E B2RXH2 1/20 0.30
NQO2 P16083 1/20 0.30
PCSK9 Q8NBP7 1/20 0.30
NTRK1 P04629 1/20 0.30

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
SCHEMBL16201637 0.79 FEN1 (0.35) KDM4E
SCHEMBL16201627 0.78 CHRNA7 (0.37) LMNAADORA3PRKD3PRKCGPRKCB
SCHEMBL16201666 0.74 CYP1A2 (0.43) CHRM2KDM4ETSHR
SCHEMBL16201628 0.70 PDE4A (0.36) LMNAADORA3KDM4ENTRK1TSHR
SCHEMBL16201671 0.70 PRKCB (0.34) LMNAADORA3PRKD3PRKCGPRKCB
SCHEMBL16201631 0.69 MTNR1A (0.45) CHRM2CHRNA7KDM4ETSHR
SCHEMBL16201626 0.69 TSHR (0.44) LMNAADORA3PRKD3PRKCGPRKCB
SCHEMBL12563374 0.68 HTR2C (0.42) KDM4E
SCHEMBL12563372 0.67 HTR2A (0.41) KDM4E
SCHEMBL19930209 0.66 HTR2A (0.35) GPR3CHRM2CHRNA7KDM4E

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 LMNA 3657/4885ADORA3 4131/4885PRKD3 4195/4885

“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.