SCHEMBL2522947

SCHEMBL2522947

COc1ccc(C(=O)N2CCCn3nc(C(=O)NO)cc3C2)cc1

nearest known ligand 0.88

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 5/20 0.88
▸ HPGD P15428 2/20 0.51
▸ MMP1 P03956 2/20 0.45
▸ MMP9 P14780 2/20 0.45
▸ MMP13 P45452 2/20 0.45
▸ UBE2N P61088 1/20 0.44
▸ GRM5 P41594 1/20 0.44
▸ DHODH Q02127 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ ALOX5 P09917 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
SCHEMBL2523838 0.94 HDAC6 (1.00) HDAC6HPGDGRM5CA1CA2
SCHEMBL2517932 0.81 HDAC6 (0.78) HDAC6HPGDGRM5CA1CA2
SCHEMBL2521032 0.81 HDAC6 (0.59) HDAC6HPGDMMP1MMP9MMP13
SCHEMBL12210498 0.77 HDAC6 (0.70) HDAC6GRM5
SCHEMBL12210580 0.77 HDAC6 (0.88) HDAC6SMN1; SMN2ALOX15ALDH1A1
SCHEMBL2524047 0.77 HDAC6 (0.70) HDAC6HPGDGRM5ALDH1A1L3MBTL1
SCHEMBL12285743 0.76 HDAC6 (0.52) HDAC6GRM5SMN1; SMN2
SCHEMBL2521563 0.76 HDAC6 (0.65) HDAC6HPGDGRM5DHODHALDH1A1
SCHEMBL2522257 0.74 HDAC6 (1.00) HDAC6HPGDCA1CA2ALDH1A1
SCHEMBL12210635 0.73 HDAC6 (0.89) HDAC6GRM5

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 10 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-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
WO-2011130163-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-20 — — WO 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
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 1/4885HPGD 1008/4885MMP1 268/4885
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 HDAC6 1/4885HPGD 1008/4885MMP1 268/4885

“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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