SCHEMBL10085396

SCHEMBL10085396

COc1ccc2c(c1)cc(C(C)=O)n2C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.77
ALDH1A1 P00352 3/20 0.77
HPGD P15428 3/20 0.77
HSD17B10 Q99714 3/20 0.77
L3MBTL1 Q9Y468 1/20 0.77
SMN1; SMN2 Q16637 1/20 0.77
MAPT P10636 1/20 0.53
TP53 P04637 2/20 0.51
GFER P55789 1/20 0.50
SRD5A2 P31213 1/20 0.50
GALR3 O60755 1/20 0.49
GAA P10253 1/20 0.49
LMNA P02545 1/20 0.48
ATM Q13315 1/20 0.47
MCL1 Q07820 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
CCR2 P41597 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 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
SCHEMBL2730305 0.89 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL5426590 0.87 L3MBTL1 (1.00) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL4369004 0.87 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL17324790 0.87 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL4502502 0.86 KDM4E (0.75) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL12883756 0.83 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL9514737 0.83 L3MBTL1 (0.76) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL17324792 0.83 MAPT (0.57) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL2686875 0.81 L3MBTL1 (0.76) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL5509927 0.80 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10L3MBTL1

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-9321731-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-04-26 US disclosed
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-04 US disclosed
US-9096518-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-04 US disclosed
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
WO-2012051708-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES, AND METHODS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2012-04-26 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 KDM4E 903/4885ALDH1A1 1220/4885HPGD 1100/4885
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 KDM4E 592/4885ALDH1A1 1505/4885HPGD 1314/4885

“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.