SCHEMBL10223978

SCHEMBL10223978

Cc1nc(C(=O)N2CCc3ncc(C(=O)NO)cc3C2)cs1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.48
▸ KCNH2 Q12809 2/20 0.45
▸ GFER P55789 1/20 0.40
▸ HDAC6 Q9UBN7 7/20 0.39
▸ HDAC8 Q9BY41 3/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ HSP90AA1 P07900 2/20 0.38
▸ TRPC3 Q13507 2/20 0.38
▸ TRPC6 Q9Y210 2/20 0.38
▸ MDM2 Q00987 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.36
▸ TLR7 Q9NYK1 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ KDR P35968 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
SCHEMBL10224035 0.92 GRM5 (0.46) GRM5KCNH2GFERHDAC6HDAC8
SCHEMBL10224094 0.80 GRM5 (0.52) GRM5KCNH2GFERHDAC6HDAC8
SCHEMBL719760 0.76 HDAC6 (0.66) HDAC6HDAC8HDAC3HDAC1
SCHEMBL10224020 0.75 HSP90AB1 (0.52) HDAC6HDAC8HDAC3HDAC1HSP90AB1
SCHEMBL719393 0.75 HDAC6 (0.56) HDAC6HDAC8HDAC3HDAC1PDGFRB
SCHEMBL720441 0.75 HDAC6 (0.50) HDAC6HDAC8HDAC3HDAC1
SCHEMBL12210583 0.74 HDAC6 (0.58) GRM5KCNH2GFERHDAC6HDAC8
SCHEMBL10224190 0.74 HDAC6 (0.72) HDAC6HDAC8HDAC3HDAC1
SCHEMBL10224110 0.74 HDAC6 (0.59) HDAC6HDAC8HDAC3HDAC1L3MBTL1
SCHEMBL26053755 0.74 HDAC6 (0.48) HDAC6HDAC8HDAC3HDAC1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249142-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-02-02 — — US disclosed
US-9249142-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-02-02 — — US disclosed
US-20150105418-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-04-16 — — US disclosed
US-20150105418-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-04-16 — — US disclosed
US-8952163-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-02-10 — — US disclosed
US-8952163-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-02-10 — — US disclosed
US-20140142108-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARM INC (US) 2014-05-22 — — US disclosed
US-20140142108-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARM INC (US) 2014-05-22 — — US disclosed
US-8471026-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-25 — — US disclosed
US-8471026-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-25 — — US disclosed
US-20120053201-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-03-01 — — US disclosed
US-20120053201-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-03-01 — — 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 (3 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-20120053201-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 GRM5 483/4885KCNH2 2896/4885GFER 4236/4885
US-20140142108-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 GRM5 483/4885KCNH2 2896/4885GFER 4236/4885
US-20150105418-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 GRM5 483/4885KCNH2 2896/4885GFER 4236/4885

“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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