SCHEMBL7796825

SCHEMBL7796825

O=C(NO)c1cc2c(s1)CN(C(=O)c1cccn1C1CC1)CC2

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 16/20 0.74
HDAC8 Q9BY41 4/20 0.47
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
KMT2A Q03164 1/20 0.40
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
KDM1A O60341 4/20 0.38
PRMT5 O14744 2/20 0.37
WDR77 Q9BQA1 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL7795389 0.92 HDAC6 (0.74) HDAC6HDAC8HDAC3HDAC1KDM1A
SCHEMBL1173968 0.85 HDAC6 (1.00) HDAC6HDAC8HDAC3HDAC1KMT2A
SCHEMBL7864579 0.77 HDAC6 (0.59) HDAC6HDAC8HDAC3HDAC1KMT2A
SCHEMBL1174737 0.76 HDAC6 (1.00) HDAC6HDAC8HDAC3HDAC1KMT2A
SCHEMBL7866459 0.75 HDAC6 (0.51) HDAC6HDAC8HDAC3HDAC1KMT2A
SCHEMBL1174072 0.75 HDAC6 (0.62) HDAC6KMT2APRMT5WDR77NPC1
SCHEMBL1173965 0.74 HDAC6 (0.61) HDAC6HDAC1KDM1APRMT5WDR77
SCHEMBL1174602 0.73 HDAC6 (0.60) HDAC6HDAC8HDAC3HDAC1KDM1A
SCHEMBL1175108 0.73 HDAC6 (0.60) HDAC6HDAC3HDAC1KDM1APRMT5
SCHEMBL1173867 0.73 HDAC6 (0.66) HDAC6HDAC8HDAC3HDAC1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 1/4885HDAC8 11/4885HDAC3 4/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 HDAC6 1/4885HDAC8 11/4885HDAC3 4/4885

“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.