SCHEMBL1263772

SCHEMBL1263772

O=C(NO)c1cc(Cl)c2c(c1)CN(C(=O)C1CCCCCC1)C2

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 10/20 0.59
▸ HDAC1 Q13547 3/20 0.46
▸ KEAP1 Q14145 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ DPP4 P27487 1/20 0.38
▸ FAP Q12884 1/20 0.38
▸ DPP8 Q6V1X1 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NAMPT P43490 1/20 0.36

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
SCHEMBL1264144 0.82 HDAC6 (0.56) HDAC6HDAC1KMT2AHDAC8
SCHEMBL1264524 0.81 HDAC6 (0.81) HDAC6HDAC1KEAP1HDAC8
SCHEMBL1264461 0.74 HDAC6 (1.00) HDAC6HDAC1KEAP1HDAC8ALDH1A1
SCHEMBL1262890 0.74 HDAC6 (1.00) HDAC6HDAC1KEAP1HDAC8ALDH1A1
SCHEMBL1263845 0.73 HDAC6 (1.00) HDAC6HDAC1KEAP1HDAC8ALDH1A1
SCHEMBL1264330 0.73 HDAC6 (1.00) HDAC6HDAC1KEAP1HDAC8ALDH1A1
SCHEMBL17960206 0.73 HDAC6 (0.61) HDAC6HDAC1KEAP1KMT2AHDAC8
SCHEMBL1262847 0.72 HDAC6 (0.97) HDAC6HDAC1KEAP1HDAC8
SCHEMBL17959058 0.71 HDAC6 (0.75) HDAC6HDAC1KEAP1HDAC8
SCHEMBL17959001 0.71 HDAC6 (0.75) HDAC6HDAC1KEAP1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096518-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-04 — — US claimed
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 1/4885HDAC1 3/4885KEAP1 535/4885
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 HDAC6 1/4885HDAC1 3/4885KEAP1 535/4885

“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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