SCHEMBL1174248

SCHEMBL1174248

O=C(NO)c1cc2c(s1)CCN(C(=O)c1cccc3cccnc13)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 10/20 0.56
▸ PRMT5 O14744 5/20 0.44
▸ WDR77 Q9BQA1 5/20 0.44
▸ KDM1A O60341 4/20 0.42
▸ HDAC8 Q9BY41 2/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HCRTR1 O43613 1/20 0.42
▸ HCRTR2 O43614 1/20 0.42
▸ FNTA P49354 1/20 0.41
▸ FNTB P49356 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ CDK2 P24941 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
SCHEMBL1173987 0.92 HDAC6 (0.56) HDAC6PRMT5WDR77HDAC8HDAC3
SCHEMBL3281405 0.82 HDAC6 (0.50) HDAC6HDAC8HDAC3HDAC1HDAC2
SCHEMBL1174110 0.74 HDAC6 (0.56) HDAC6PRMT5WDR77HDAC8HDAC3
SCHEMBL2521352 0.73 HDAC6 (0.59) HDAC6HDAC8HCRTR1HCRTR2FNTA
SCHEMBL3281765 0.73 MYC (0.49) HCRTR1HCRTR2FNTAFNTBKDM4E
SCHEMBL4159437 0.73 PARP1 (0.54) HCRTR1HCRTR2KDM4EALDH1A1HPGD
SCHEMBL1174506 0.72 HDAC6 (0.61) HDAC6PRMT5WDR77KDM1A
SCHEMBL1174737 0.72 HDAC6 (1.00) HDAC6PRMT5WDR77KDM1AHDAC8
SCHEMBL1174022 0.72 HDAC6 (0.60) HDAC6PRMT5WDR77KDM1AALDH1A1
SCHEMBL7795389 0.70 HDAC6 (0.74) HDAC6PRMT5WDR77KDM1AHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8624040-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-01-07 — — US claimed
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 — — US disclosed
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 — — US disclosed
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 — — US disclosed
US-8624040-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-01-07 — — US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 — — US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 — — US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 — — US disclosed
WO-2010151317-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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 HDAC6 1/4885PRMT5 821/4885WDR77 1675/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 HDAC6 1/4885PRMT5 821/4885WDR77 1675/4885

“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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