SCHEMBL12233128

SCHEMBL12233128

CC1c2cc(C(=O)NO)cn2CCN1C(=O)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.44
▸ EPHX2 P34913 4/20 0.39
▸ HDAC6 Q9UBN7 3/20 0.39
▸ HDAC3 O15379 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ POLB P06746 1/20 0.38
▸ HDAC4 P56524 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ FAAH O00519 3/20 0.37
▸ CNR2 P34972 6/20 0.37
▸ PKM P14618 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL12210800 0.84 GRM1 (0.42) ALDH1A1HDAC6HDAC3HDAC1HDAC2
SCHEMBL16418255 0.76 HDAC6 (0.44) HDAC6HDAC3HDAC1HDAC2HDAC7
SCHEMBL12211076 0.73 GRM1 (0.38) HDAC6HDAC3HDAC1HDAC2POLB
SCHEMBL12211105 0.73 HDAC6 (0.37) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL12210695 0.72 HDAC6 (0.46) HDAC6HDAC3HDAC1HDAC2HDAC7
SCHEMBL12210771 0.71 HDAC6 (0.43) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL12211128 0.70 HDAC6 (0.59) ALDH1A1HDAC6HDAC1HDAC8MEN1
SCHEMBL12233897 0.70 HDAC6 (0.45) EPHX2HDAC6HDAC3HDAC1HDAC2
SCHEMBL12211068 0.70 HDAC6 (0.62) HDAC6HDAC3HDAC1HDAC2HDAC4
SCHEMBL12210700 0.67 HDAC6 (0.46) HDAC6HDAC3HDAC1HDAC2HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946223-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-02-03 — — US claimed
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 ALDH1A1 828/4885EPHX2 2094/4885HDAC6 1/4885
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 ALDH1A1 828/4885EPHX2 2094/4885HDAC6 1/4885

“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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