SCHEMBL12211173

SCHEMBL12211173

CCOC(=O)c1cc2n(c1)CCN(C=O)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.39
▸ CA1 P00915 3/20 0.39
▸ CA2 P00918 3/20 0.39
▸ CA7 P43166 3/20 0.39
▸ CA9 Q16790 3/20 0.39
▸ CA14 Q9ULX7 3/20 0.39
▸ HSP90AA1 P07900 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ CYP2C19 P33261 2/20 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
SCHEMBL12283967 0.82 CYP2C9 (0.45) CA12CA1CA2CA7CA9
SCHEMBL2524846 0.77 KCNH2 (0.40) CA12CA1CA2CA7CA9
SCHEMBL27140139 0.77 COMT (0.38) CA12CA1CA2CA7CA9
SCHEMBL12211171 0.76 HDAC6 (0.54) CA12CA1CA9HDAC6
SCHEMBL25318763 0.75 RAB9A (0.45) CA12CA1CA2CA7CA9
SCHEMBL2519720 0.73 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL12271733 0.71 ALOX5 (0.43) CA12CA1CA2CA7CA9
SCHEMBL12211189 0.71 RAB9A (0.40) CA12CA1CA2CA7CA9
SCHEMBL16101883 0.71 MAPT (0.41) HDAC6
SCHEMBL22347051 0.69 CA12 (0.41) CA12CA1CA2CA7CA9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150175614-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-06-25 — — US disclosed
US-8946223-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-02-03 — — US disclosed
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-13 — — 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 (2 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-20150175614-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 CA12 1201/4885CA1 199/4885CA2 323/4885
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 CA12 1201/4885CA1 199/4885CA2 323/4885

“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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