SCHEMBL2116665

SCHEMBL2116665

CCOC(=O)c1ccc2nc[nH]c(=O)c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.66
ALDH1A1 P00352 8/20 0.58
HPGD P15428 5/20 0.58
KDM4E B2RXH2 5/20 0.58
HSD17B10 Q99714 3/20 0.58
PARP1 P09874 6/20 0.56
KMT2A Q03164 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MEN1 O00255 2/20 0.52
TP53 P04637 1/20 0.52
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
HCRTR1 O43613 2/20 0.49
IP6K1 Q92551 1/20 0.49
CHEK1 O14757 1/20 0.49
PIM1 P11309 1/20 0.49
AKT1 P31749 1/20 0.49
FLT3 P36888 1/20 0.49
PIM3 Q86V86 1/20 0.49
RAB9A P51151 2/20 0.48

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
SCHEMBL29698253 0.85 SLC2A1 (0.71) SLC2A1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL263292 0.85 SLC2A1 (0.71) SLC2A1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL30447626 0.82 KMT2A (0.65) ALDH1A1HPGDKDM4EKMT2APOLB
SCHEMBL1965011 0.82 KMT2A (0.65) ALDH1A1HPGDKDM4EKMT2APOLB
SCHEMBL1965008 0.79 KMT2A (0.53) ALDH1A1HPGDKDM4EHSD17B10KMT2A
SCHEMBL27199965 0.79 KDM4E (0.57) ALDH1A1HPGDKDM4EHSD17B10PARP1
SCHEMBL7976876 0.78 TGFBR1 (0.58) SLC2A1ALDH1A1HPGDKDM4EPARP1
SCHEMBL263154 0.78 SLC2A1 (0.74) SLC2A1PARP1IP6K1CHEK1PIM1
SCHEMBL6869826 0.78 CLK1 (0.56) SLC2A1ALDH1A1HPGDKDM4EPARP1
SCHEMBL15845703 0.77 KDM4E (0.51) SLC2A1ALDH1A1HPGDKDM4EHSD17B10

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 11 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-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-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
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
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 SLC2A1 3112/4885ALDH1A1 298/4885HPGD 2018/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 SLC2A1 3112/4885ALDH1A1 298/4885HPGD 2018/4885

“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.