SCHEMBL1174003

SCHEMBL1174003

O=C(NO)c1cc2c(s1)CCN(C(=O)C13CC4CC(CC(C4)C1)C3)C2

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.59
HSD11B1 P28845 4/20 0.54
KDM1A O60341 5/20 0.49
CNR2 P34972 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.40
SRD5A2 P31213 2/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL1175119 0.91 HDAC6 (0.59) HDAC6HSD11B1KDM1ACNR2L3MBTL1
SCHEMBL1174272 0.89 CNR2 (0.53) HDAC6HSD11B1KDM1ACNR2L3MBTL1
SCHEMBL1263309 0.78 HSD11B1 (0.65) HDAC6HSD11B1KDM1ACNR2SRD5A2
SCHEMBL1174050 0.77 HDAC6 (0.62) HDAC6KDM1AALDH1A1
SCHEMBL3323811 0.75 HSD11B1 (0.65) HSD11B1CNR2L3MBTL1SRD5A2ALDH1A1
SCHEMBL7787929 0.75 HSD11B1 (0.44) HSD11B1CNR2L3MBTL1SRD5A2ALDH1A1
SCHEMBL1173977 0.74 HDAC6 (1.00) HDAC6KDM1AALDH1A1
SCHEMBL721810 0.74 HSD11B1 (0.51) HDAC6HSD11B1CNR2L3MBTL1SRD5A2
SCHEMBL1173763 0.74 HDAC6 (1.00) HDAC6KDM1A
SCHEMBL1264288 0.74 HDAC6 (0.60) HDAC6HSD11B1CNR2L3MBTL1SRD5A2

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 1/4885HSD11B1 1146/4885KDM1A 188/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 HDAC6 1/4885HSD11B1 1146/4885KDM1A 188/4885

“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.