SCHEMBL4937221

SCHEMBL4937221

Cn1c(CC[C@H](NC(=O)OC(C)(C)C)C(=O)O)nc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.55
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.51
RECQL P46063 1/20 0.49
PTPN1 P18031 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
TSHR P16473 1/20 0.46
PPARA Q07869 5/20 0.44
PPARG P37231 4/20 0.44
ACE P12821 1/20 0.43
GAA P10253 1/20 0.43
PPARD Q03181 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL4937239 1.00 HDAC6 (0.55) HDAC6ALDH1A1MAPTRECQLPTPN1
SCHEMBL30559535 0.90 MAPT (0.54) HDAC6ALDH1A1MAPTRECQLPTPN1
SCHEMBL26976591 0.90 MAPT (0.54) HDAC6ALDH1A1MAPTRECQLPTPN1
SCHEMBL27126432 0.90 MAPT (0.54) HDAC6ALDH1A1MAPTRECQLPTPN1
SCHEMBL4933982 0.88 HDAC6 (0.49) HDAC6ALDH1A1MAPTRECQLCTSS
SCHEMBL4933962 0.88 HDAC6 (0.49) HDAC6ALDH1A1MAPTRECQLCTSS
SCHEMBL24754664 0.86 BRD4 (0.41) HDAC6ALDH1A1RECQLPTPN1CTSS
SCHEMBL29184736 0.86 BRD4 (0.41) HDAC6ALDH1A1RECQLPTPN1CTSS
SCHEMBL29184721 0.86 BRD4 (0.41) HDAC6ALDH1A1RECQLPTPN1CTSS
SCHEMBL4927920 0.86 HDAC6 (0.47) HDAC6ALDH1A1MAPTRECQLCTSS

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 HDAC6 10/4885ALDH1A1 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.