SCHEMBL4932791

SCHEMBL4932791

N[C@@H](Cc1cn(Cc2c(F)c(F)c(F)c(F)c2F)c2ccccc12)C(=O)NO

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.44
HDAC6 Q9UBN7 8/20 0.42
HDAC1 Q13547 6/20 0.42
HDAC10 Q969S8 5/20 0.42
HDAC8 Q9BY41 4/20 0.42
HDAC2 Q92769 3/20 0.41
HDAC3 O15379 2/20 0.41
NCOR2 Q9Y618 2/20 0.41
SCN9A Q15858 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NOD2 Q9HC29 1/20 0.39
IDE P14735 1/20 0.38

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
SCHEMBL4932797 1.00 KMT2A (0.44) KMT2AALDH1A1MAPTRECQLHDAC6
SCHEMBL4926554 0.82 HDAC6 (0.47) KMT2AALDH1A1MAPTHDAC6HDAC1
SCHEMBL4926564 0.82 HDAC6 (0.47) KMT2AALDH1A1MAPTHDAC6HDAC1
SCHEMBL4935914 0.82 HDAC6 (0.47) KMT2AALDH1A1MAPTHDAC6HDAC1
SCHEMBL4930630 0.82 NPC1 (0.43) KMT2AALDH1A1MAPTRECQLHDAC6
SCHEMBL4930620 0.82 NPC1 (0.43) KMT2AALDH1A1MAPTRECQLHDAC6
SCHEMBL4930609 0.82 ALDH1A1 (0.51) KMT2AALDH1A1MAPTRECQL
SCHEMBL4930600 0.82 ALDH1A1 (0.51) KMT2AALDH1A1MAPTRECQL
SCHEMBL4932173 0.82 ALDH1A1 (0.51) KMT2AALDH1A1MAPTRECQL
SCHEMBL4927838 0.80 HTR6 (0.54) KMT2AALDH1A1MAPTHDAC6HDAC1

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-20080132539-A1 Hydroxamic Acid Derivative And Age Generation Inhibitor Containing The Derivative KUREHA CORPORATION (JP) 2008-06-05 US disclosed
EP-1707560-A1 HYDROXAMIC ACID DERIVATIVE AND AGE GENERATION INHIBITOR CONTAINING THE DERIVATIVE Kureha Corporation (JP) 2006-10-04 EP 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-20080132539-A1 Hydroxamic Acid Derivative And Age Generation Inhibitor Containing The Derivative HDAC5, HDAC1, HDAC9 KMT2A 249/4885ALDH1A1 1829/4885MAPT 2275/4885

“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.