SCHEMBL1264149

SCHEMBL1264149

O=C(NO)c1ccc2c(c1)CCN(C(=O)Cc1ccc(-c3ccccc3)cc1)C2

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 13/20 0.68
NPC1 O15118 2/20 0.57
RAB9A P51151 1/20 0.57
HDAC8 Q9BY41 3/20 0.55
KMT2A Q03164 2/20 0.53
HDAC1 Q13547 4/20 0.52
ABCB1 P08183 1/20 0.52
ABCC1 P33527 1/20 0.52
HDAC3 O15379 1/20 0.52
HDAC10 Q969S8 1/20 0.52
ROCK2 O75116 1/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL1264115 0.93 HDAC6 (0.60) HDAC6NPC1RAB9AHDAC8KMT2A
SCHEMBL1264476 0.85 HDAC6 (0.52) HDAC6NPC1RAB9AHDAC8KMT2A
SCHEMBL1264537 0.83 HDAC6 (0.57) HDAC6NPC1RAB9AHDAC8KMT2A
SCHEMBL1263356 0.83 HDAC6 (0.61) HDAC6NPC1RAB9AHDAC8HDAC1
SCHEMBL6974709 0.83 NPC1 (0.57) HDAC6NPC1RAB9AKMT2AABCB1
SCHEMBL17482292 0.83 KMT2A (0.62) HDAC6NPC1RAB9AHDAC8KMT2A
SCHEMBL1264116 0.83 HDAC6 (0.49) HDAC6NPC1RAB9AHDAC8KMT2A
SCHEMBL1264006 0.82 ABCB1 (0.57) HDAC6NPC1RAB9AHDAC8KMT2A
SCHEMBL1083136 0.81 HDAC6 (0.53) HDAC6NPC1RAB9AHDAC8KMT2A
Hydrochloric Acid SCHEMBL2282482 0.80 HDAC6 (0.52) HDAC6NPC1RAB9AHDAC8HDAC1

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 15 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 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-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-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-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
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 1/4885NPC1 1972/4885RAB9A 2715/4885
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 HDAC6 1/4885NPC1 1972/4885RAB9A 2715/4885

“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.