SCHEMBL1264610

SCHEMBL1264610

O=C(NO)c1ccc2c(c1)CCN(c1ccnc(NCc3ccccc3)n1)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 10/20 0.54
▸ GRIN2D O15399 1/20 0.52
▸ GRIN3B O60391 1/20 0.52
▸ GRIN1 Q05586 1/20 0.52
▸ GRIN2A Q12879 1/20 0.52
▸ GRIN2B Q13224 1/20 0.52
▸ GRIN2C Q14957 1/20 0.52
▸ GRIN3A Q8TCU5 1/20 0.52
▸ HDAC11 Q96DB2 1/20 0.49
▸ SCN9A Q15858 1/20 0.47
▸ KDM6B O15054 4/20 0.46
▸ HDAC3 O15379 2/20 0.45
▸ HDAC1 Q13547 2/20 0.45
▸ HDAC2 Q92769 2/20 0.45
▸ ADAMTS4 O75173 2/20 0.45
▸ ADRA2B P18089 1/20 0.44
▸ ADRA2C P18825 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ HRH2 P25021 1/20 0.44
▸ HTR1D P28221 1/20 0.44

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
SCHEMBL1263029 0.94 HDAC6 (0.48) HDAC6GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1173802 0.82 GRIN2D (0.46) HDAC6GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1174343 0.82 GRIN2D (0.46) HDAC6GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1263863 0.81 GRIN2D (0.43) HDAC6GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1264493 0.80 ACHE (0.58) HDAC6HDAC11
SCHEMBL1264473 0.77 ACHE (0.60) —
SCHEMBL8349470 0.73 OGA (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1028559 0.73 KMT2A (0.59) HDAC6HDAC11HDAC3HDAC1HDAC2
SCHEMBL1264338 0.72 HDAC6 (0.65) HDAC6HDAC1HDAC8
SCHEMBL18743015 0.71 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445340-B1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARM INC (US) 2016-05-18 — — EP claimed
US-9096518-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-04 — — US claimed
EP-2445340-B1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARM INC (US) 2016-05-18 — — EP disclosed
EP-2445340-B1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARM INC (US) 2016-05-18 — — EP disclosed
US-9321731-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-04-26 — — US disclosed
US-9321731-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-04-26 — — US disclosed
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-04 — — US disclosed
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-04 — — US disclosed
US-9096518-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-04 — — US disclosed
US-9096518-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-04 — — US disclosed
US-20110039827-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 — — US disclosed
US-20110039827-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 — — US disclosed
WO-2010151318-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 — — WO 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-20110039827-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 HDAC6 1/4885GRIN2D 358/4885GRIN3B 290/4885
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 HDAC6 1/4885GRIN2D 358/4885GRIN3B 290/4885

“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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