SCHEMBL16201658

SCHEMBL16201658

CC(C)n1c2c(c3ccccc31)CC(=O)N(C)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.39
HTT P42858 1/20 0.39
NPY5R Q15761 1/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HTR5A P47898 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35

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
SCHEMBL16201660 0.89 POLB (0.39) POLBHTTNPY5RTSHRALDH1A1
SCHEMBL16201642 0.74 TSHR (0.40) POLBHTTNPY5RTSHRALDH1A1
SCHEMBL16201659 0.72 POLB (0.40) POLBHTTNPY5RTSHRALDH1A1
SCHEMBL16201651 0.71 POLB (0.39) POLBHTTNPY5RTSHRALDH1A1
SCHEMBL16201640 0.70 CSNK2B (0.47) POLBHTTTSHRALDH1A1MAPT
SCHEMBL6824387 0.69 CA1 (0.53) TSHRALDH1A1HTR5AMAPTMAPK1
SCHEMBL17520575 0.69 HDAC6 (0.36) POLBHTTHTR3EHTR3BHTR3A
SCHEMBL16201667 0.69 ALDH1A1 (0.50) POLBHTTTSHRALDH1A1MAPT
SCHEMBL16201649 0.69 CSNK2A2 (0.40) POLBHTTNPY5RTSHRALDH1A1
SCHEMBL19161122 0.68 HDAC6 (0.57) HTTALDH1A1MAPTMEN1KMT2A

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 POLB 1833/4885HTT 112/4885NPY5R 1997/4885

“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.