SCHEMBL2611268

SCHEMBL2611268

O=C(NO)c1ccc2c(=O)[nH]c(COc3ccc4c(c3)OCO4)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.46
MAPK1 P28482 5/20 0.44
USP2 O75604 2/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 2/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.42
RECQL P46063 1/20 0.42
PDE10A Q9Y233 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL4550064 0.84 KDM4E (0.46) HDAC6MAPK1ALDH1A1MAPTGAA
SCHEMBL2611393 0.82 RAB9A (0.49) HDAC6MAPK1ALDH1A1MAPTKDM4E
SCHEMBL2611365 0.81 ROCK2 (0.44) HDAC6ALDH1A1MAPTKDM4ERECQL
SCHEMBL2619420 0.80 KDM4E (0.49) HDAC6ALDH1A1MAPTGAAKDM4E
SCHEMBL2611274 0.80 HTT (0.51) HDAC6USP2ALDH1A1MAPTMEN1
SCHEMBL2619265 0.77 KMT2A (0.47) HDAC6USP2MAPTMEN1KMT2A
SCHEMBL2118827 0.77 RAB9A (0.47) HDAC6USP2MAPTMEN1KMT2A
SCHEMBL4550080 0.77 KDM4E (0.40) HDAC6MAPK1ALDH1A1MEN1KMT2A
SCHEMBL2619416 0.75 PARP1 (0.45) HDAC6ALDH1A1MAPTKDM4ERECQL
SCHEMBL2611379 0.75 ROCK2 (0.53) HDAC6MAPK1ALDH1A1MEN1KMT2A

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-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
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 1/4885MAPK1 2359/4885USP2 1775/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 HDAC6 1/4885MAPK1 2359/4885USP2 1775/4885

“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.