SCHEMBL2115784

SCHEMBL2115784

O=C(NO)c1ccc2ccn(Cc3ccc(C(F)(F)F)cc3)c(=O)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 13/20 0.53
HDAC1 Q13547 12/20 0.51
HDAC8 Q9BY41 10/20 0.51
HDAC2 Q92769 7/20 0.51
HDAC10 Q969S8 3/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC3 O15379 5/20 0.50
HDAC11 Q96DB2 3/20 0.50
HDAC4 P56524 2/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
KCNQ4 P56696 1/20 0.46
KCNQ5 Q9NR82 1/20 0.46
MAPT P10636 1/20 0.45

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
SCHEMBL2118004 0.89 HDAC6 (0.53) HDAC6HDAC1HDAC8HDAC2HDAC10
SCHEMBL2116360 0.88 ATM (0.55) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL2117375 0.87 HDAC6 (0.60) HDAC6HDAC1HDAC8HDAC2HDAC10
SCHEMBL2619245 0.86 HDAC6 (0.55) HDAC6HDAC1HDAC8HDAC2HDAC10
SCHEMBL10262296 0.85 DDR1 (0.46) HDAC6HDAC1HDAC8HDAC2HDAC10
SCHEMBL2619300 0.85 DDR1 (0.46) HDAC6HDAC1HDAC8HDAC2HDAC10
SCHEMBL2611239 0.85 HDAC6 (0.60) HDAC6HDAC1HDAC8HDAC2HDAC10
SCHEMBL2116590 0.85 HDAC6 (0.56) HDAC6HDAC1HDAC8HDAC2HDAC10
SCHEMBL2118972 0.83 HDAC6 (0.51) HDAC6HDAC1HDAC8HDAC2HDAC10
SCHEMBL2117793 0.83 HDAC6 (0.49) HDAC6HDAC1HDAC8HDAC2HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
WO-2012054332-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-26 WO disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 US disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 US 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-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 HDAC6 1/4885HDAC1 2/4885HDAC8 14/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 HDAC6 1/4885HDAC1 2/4885HDAC8 14/4885

“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.