SCHEMBL16201626

SCHEMBL16201626

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
NTRK1 P04629 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
ALDH1A1 P00352 1/20 0.31
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

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
SCHEMBL16201628 0.78 PDE4A (0.36) TSHRNTRK1KDM4EHSD17B10ALDH1A1
SCHEMBL16201627 0.75 CHRNA7 (0.37) TSHRNTRK1KDM4EHPGDHSD17B10
SCHEMBL16201657 0.75 TSHR (0.34) TSHR
SCHEMBL16201625 0.69 LMNA (0.31) TSHRNTRK1KDM4ELMNAADORA3
SCHEMBL16201671 0.67 PRKCB (0.34) KDM4EHPGDHSD17B10ALDH1A1LMNA
SCHEMBL16201631 0.66 MTNR1A (0.45) TSHRKDM4EMTNR1AMTNR1BALDH1A1
SCHEMBL16201642 0.66 TSHR (0.40) TSHRALDH1A1PRKD3PRKCGPRKCB
SCHEMBL12563374 0.65 HTR2C (0.42) KDM4EMTNR1AMTNR1BMAPT
SCHEMBL12563372 0.64 HTR2A (0.41) KDM4EMAPT
SCHEMBL20669941 0.63 LMNA (0.46) KDM4EHPGDHSD17B10ALDH1A1LMNA

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 TSHR 1973/4885NTRK1 4097/4885KDM4E 1948/4885

“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.