SCHEMBL2526693

SCHEMBL2526693

O=C(NO)c1cc2n(n1)CCN(C(=O)CCc1ccccc1)C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 4/20 0.55
▸ NPC1 O15118 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ FKBP1A P62942 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ POLB P06746 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ME2 P23368 2/20 0.43
▸ ME1 P48163 2/20 0.43
▸ ME3 Q16798 2/20 0.43
▸ KDM1A O60341 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ GFER P55789 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ GRM5 P41594 1/20 0.41
▸ NAAA Q02083 1/20 0.41
▸ GRIN2B Q13224 1/20 0.40
▸ CHRM3 P20309 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
SCHEMBL12210498 0.77 HDAC6 (0.70) HDAC6GRM5
SCHEMBL16100125 0.75 PKM (0.55) HDAC6ALDH1A1POLBKMT2AMEN1
SCHEMBL16100162 0.75 GRM5 (0.40) HDAC6KMT2AMEN1MAPTGRM5
SCHEMBL2524772 0.74 HDAC6 (0.49) HDAC6ALDH1A1KMT2AMAPT
SCHEMBL16099461 0.73 HDAC6 (0.41) HDAC6ALDH1A1TSHRL3MBTL1KMT2A
SCHEMBL12285743 0.73 HDAC6 (0.52) HDAC6NPC1POLBGRM5
SCHEMBL12210531 0.72 HDAC6 (0.60) HDAC6NPC1GRM5
SCHEMBL25413038 0.72 HDAC6 (0.46) HDAC6NPC1KMT2AMEN1
SCHEMBL7131839 0.72 NPC1 (0.86) NPC1TDP1FKBP1AALDH1A1POLB
SCHEMBL12210588 0.71 HDAC6 (1.00) HDAC6KMT2AGRM5

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 11 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
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 1/4885NPC1 2742/4885TDP1 2411/4885
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 HDAC6 1/4885NPC1 2742/4885TDP1 2411/4885

“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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