SCHEMBL16201627

SCHEMBL16201627

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.37
CHRM2 P08172 3/20 0.37
TSHR P16473 1/20 0.36
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
GPR3 P46089 1/20 0.32
PRKD3 O94806 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCI P41743 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
SCHEMBL16201625 0.78 LMNA (0.31) CHRNA7CHRM2TSHRKDM4ELMNA
SCHEMBL16201641 0.78 FEN1 (0.36)
SCHEMBL16201631 0.76 MTNR1A (0.45) CHRNA7CHRM2TSHRKDM4EALDH1A1
SCHEMBL16201626 0.75 TSHR (0.44) CHRNA7CHRM2TSHRHPGDKDM4E
SCHEMBL16201634 0.74
SCHEMBL16201671 0.73 PRKCB (0.34) HPGDKDM4EMEN1ALDH1A1KMT2A
SCHEMBL16201628 0.71 PDE4A (0.36) TSHRKDM4EALDH1A1MAPTHSD17B10
SCHEMBL12563374 0.69 HTR2C (0.42) KDM4EMAPT
SCHEMBL16201666 0.69 CYP1A2 (0.43) CHRM2TSHRKDM4EALDH1A1CYP1A2
SCHEMBL10730607 0.69 KMT2A (0.40) HPGDKDM4EMEN1ALDH1A1MAPT

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 CHRNA7 1068/4885CHRM2 3652/4885TSHR 1973/4885

“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.