SCHEMBL2521352

SCHEMBL2521352

O=C(NO)c1cc2n(n1)CCN(C(=O)c1cccc3cccnc13)C2

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 3/20 0.59
▸ GRM5 P41594 10/20 0.48
▸ HCRTR1 O43613 1/20 0.43
▸ HCRTR2 O43614 1/20 0.43
▸ FNTA P49354 1/20 0.42
▸ FNTB P49356 1/20 0.42
▸ AURKA O14965 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CCNA1 P78396 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.40
▸ PARP1 P09874 1/20 0.40

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
SCHEMBL3281405 0.75 HDAC6 (0.50) HDAC6AURKACCNA2CDK2CCNA1
SCHEMBL12210524 0.74 HDAC6 (1.00) HDAC6GRM5HDAC8
SCHEMBL1174248 0.73 HDAC6 (0.56) HDAC6HCRTR1HCRTR2FNTAFNTB
SCHEMBL1173987 0.73 HDAC6 (0.56) HDAC6HCRTR1HCRTR2FNTAFNTB
SCHEMBL12210588 0.73 HDAC6 (1.00) HDAC6GRM5HDAC8
SCHEMBL2523838 0.71 HDAC6 (1.00) HDAC6GRM5
SCHEMBL3080238 0.71 PARP1 (0.64) HDAC6HDAC8PARP1
SCHEMBL12210478 0.71 HDAC6 (0.57) HDAC6GRM5HDAC8
SCHEMBL6986212 0.70 MAPT (0.59) HCRTR1HCRTR2HTR2AHTR2CPARP1
SCHEMBL12210531 0.70 HDAC6 (0.60) HDAC6GRM5HDAC8

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-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
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 1/4885GRM5 606/4885HCRTR1 326/4885
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 HDAC6 1/4885GRM5 606/4885HCRTR1 326/4885

“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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