SCHEMBL12211138

SCHEMBL12211138

CN1CCC(C(=O)Nc2ccc(CN3CCn4cc(C(=O)NO)cc4C3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 4/20 0.49
▸ ENPP2 Q13822 1/20 0.46
▸ LTA4H P09960 1/20 0.43
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ CTNNB1 P35222 1/20 0.41
▸ TCF7L2 Q9NQB0 1/20 0.41
▸ PRKAB2 O43741 1/20 0.41
▸ PRKAG1 P54619 1/20 0.41
▸ PRKAA2 P54646 1/20 0.41
▸ PRKAA1 Q13131 1/20 0.41
▸ PRKAG3 Q9UGI9 1/20 0.41
▸ PRKAG2 Q9UGJ0 1/20 0.41
▸ PRKAB1 Q9Y478 1/20 0.41

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
SCHEMBL2520788 0.77 HDAC1 (0.63) HDAC6HDAC1HDAC3HDAC7HDAC2
SCHEMBL12283183 0.69 HDAC6 (0.57) HDAC6HDAC1HDAC3HDAC7HDAC2
SCHEMBL2522000 0.69 HDAC6 (0.50) HDAC6HDAC1HDAC3HDAC7HDAC2
SCHEMBL12321407 0.69 ENPP2 (0.46) HDAC6ENPP2LTA4HCTNNB1TCF7L2
SCHEMBL10131252 0.68 LMNA (0.60) KMT2AMEN1
SCHEMBL23928217 0.68 POLB (0.55) CTNNB1TCF7L2KMT2AMEN1GAA
SCHEMBL2519323 0.68 HDAC6 (0.53) HDAC6HDAC1HDAC3HDAC7HDAC2
SCHEMBL12211139 0.67 HDAC6 (0.49) HDAC6HDAC1HDAC3HDAC7HDAC2
SCHEMBL15522577 0.67 POLB (0.55) HDAC1HDAC8ABL1KMT2AMEN1
SCHEMBL10306612 0.67 POLB (0.74) KMT2AMEN1GAATSHRNPSR1

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 9 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-20150175614-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-06-25 — — US disclosed
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-8946223-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-02-03 — — 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
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 HDAC6 1/4885ENPP2 942/4885LTA4H 2832/4885
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 HDAC6 1/4885ENPP2 942/4885LTA4H 2832/4885

“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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