SCHEMBL2524772

SCHEMBL2524772

O=C(NO)c1cc2n(n1)CCN(C(=O)Cc1c[nH]c3ccccc13)C2

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 5/20 0.49
▸ HDAC1 Q13547 4/20 0.49
▸ HDAC3 O15379 2/20 0.49
▸ HDAC2 Q92769 2/20 0.49
▸ ALDH1A1 P00352 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TACR1 P25103 1/20 0.45
▸ TACR3 P29371 1/20 0.45
▸ MAPT P10636 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ PTGDR2 Q9Y5Y4 1/20 0.43
▸ GLA P06280 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ SMYD2 Q9NRG4 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
SCHEMBL12210621 0.88 HDAC6 (0.47) HDAC6HDAC1HDAC3HDAC2ALDH1A1
SCHEMBL2519732 0.84 PKM (0.49) ALDH1A1LMNAHTTSMN1; SMN2TACR1
SCHEMBL1029844 0.74 HDAC6 (0.53) HDAC6HDAC1HDAC3HDAC2ALDH1A1
SCHEMBL2279811 0.74 ALDH1A1 (0.53) HDAC6HDAC1HDAC3HDAC2ALDH1A1
SCHEMBL2526693 0.74 HDAC6 (0.55) HDAC6ALDH1A1MAPTKMT2A
Hydrochloric Acid SCHEMBL1074823 0.74 HDAC6 (0.52) HDAC6HDAC1HDAC3HDAC2ALDH1A1
SCHEMBL16099135 0.73 FAAH (0.44) HDAC6RAB9A
SCHEMBL1851840 0.71 KMT2A (0.73) ALDH1A1LMNAHTTSMN1; SMN2TACR1
SCHEMBL1850843 0.71 KMT2A (0.69) ALDH1A1LMNAHTTSMN1; SMN2TACR1
SCHEMBL9410722 0.71 ALDH1A1 (0.62) ALDH1A1LMNAHTTSMN1; SMN2TACR1

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 1/4885HDAC1 2/4885HDAC3 12/4885
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 HDAC6 1/4885HDAC1 2/4885HDAC3 12/4885

“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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