SCHEMBL17313824

SCHEMBL17313824

[C]#Cc1ccn(CC(=O)O)c(=O)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.42
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ ACACB O00763 3/20 0.34
▸ CYP4F2 P78329 2/20 0.34
▸ CYP4A11 Q02928 2/20 0.34
▸ AKR1B10 O60218 1/20 0.34
▸ AKR1B1 P15121 1/20 0.34
▸ SOS1 Q07889 1/20 0.34
▸ PTGS2 P35354 1/20 0.33
▸ PSMB5 P28074 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33

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
SCHEMBL17313802 0.81 L3MBTL1 (0.39) KDM4EACACBPSMB5
SCHEMBL17313760 0.78 ACACB (0.36) KDM4EACACB
SCHEMBL4591705 0.74 KDM4E (0.56) HDAC6KMT2AALDH1A1MAPTKDM4E
SCHEMBL22114351 0.74 HDAC6 (0.45) HDAC6KMT2AALDH1A1MAPTKDM4E
SCHEMBL17512273 0.74 HDAC6 (0.45) HDAC6KMT2AALDH1A1MAPTKDM4E
SCHEMBL31147948 0.71 HDAC6 (0.52) HDAC6ALDH1A1KDM4ESOS1PTGS2
SCHEMBL20541532 0.70 HDAC6 (0.45) HDAC6KMT2AALDH1A1MAPTKDM4E
SCHEMBL15469125 0.70 HDAC6 (0.45) HDAC6KMT2AALDH1A1MAPTKDM4E
SCHEMBL31147965 0.70 HDAC6 (0.51) HDAC6CYP4F2CYP4A11SOS1PTGS2
SCHEMBL16888062 0.68 ALDH1A1 (0.41) HDAC6KMT2AALDH1A1MAPTKDM4E

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-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 — — US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 — — 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-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO HDAC6 770/4885KMT2A 1886/4885ALDH1A1 289/4885

“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.

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