SCHEMBL1263752

SCHEMBL1263752

O=C(NO)c1cc(F)c2c(c1)CCCN(C(=O)c1ccc(C(F)(F)F)cc1)CC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ HDAC6 Q9UBN7 9/20 0.47
▸ HDAC1 Q13547 3/20 0.47
▸ EPHX2 P34913 1/20 0.43
▸ CNR1 P21554 2/20 0.43
▸ CNR2 P34972 2/20 0.43
▸ MLYCD O95822 1/20 0.42
▸ HSD11B1 P28845 1/20 0.42
▸ HDAC3 O15379 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ TDP1 Q9NUW8 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
SCHEMBL1264428 0.81 HDAC6 (0.70) MEN1HPGDTSHRKMT2AHDAC6
SCHEMBL1263339 0.80 HDAC6 (0.68) MEN1HPGDTSHRKMT2AHDAC6
SCHEMBL1263736 0.78 HDAC6 (0.56) HDAC6HDAC1HDAC3HDAC7HDAC2
SCHEMBL12923083 0.74 HDAC6 (0.65) MEN1HPGDTSHRKMT2AHDAC6
SCHEMBL1264173 0.74 HDAC6 (0.63) MEN1HPGDKMT2AHDAC6HDAC1
SCHEMBL7865006 0.74 HDAC6 (0.60) MEN1HPGDTSHRKMT2AHDAC6
SCHEMBL2686486 0.72 HPGD (0.96) MEN1HPGDTSHRKMT2AEPHX2
SCHEMBL12210528 0.72 HDAC6 (0.60) MEN1HPGDTSHRKMT2AHDAC6
SCHEMBL9677283 0.71 HPGD (1.00) MEN1HPGDTSHRKMT2AEPHX2
SCHEMBL1263374 0.70 HDAC6 (0.71) MEN1HPGDKMT2AHDAC6HDAC1

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
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 MEN1 3500/4885HPGD 1314/4885TSHR 3485/4885
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 MEN1 3500/4885HPGD 1314/4885TSHR 3485/4885

“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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