SCHEMBL2117546

SCHEMBL2117546

COC(=O)c1ccc2c(=O)[nH]c(COc3ccccc3C(F)(F)F)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
POLB P06746 1/20 0.54
ALDH1A1 P00352 3/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 2/20 0.50
PDE5A O76074 1/20 0.44
PARP1 P09874 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
NPC1 O15118 2/20 0.43
MAPK1 P28482 1/20 0.43
TNKS O95271 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL2115907 0.89 HDAC6 (0.46) KDM4EPOLBKMT2ARAB9ASMN1; SMN2
SCHEMBL2611379 0.77 ROCK2 (0.53) KDM4EPOLBALDH1A1MEN1KMT2A
SCHEMBL403762 0.77 ALDH1A1 (0.55) KDM4EPOLBALDH1A1MAPTMEN1
SCHEMBL2118620 0.76 KDM4E (0.72) KDM4EPOLBALDH1A1MAPTMEN1
SCHEMBL31483754 0.76 KDM4E (0.72) KDM4EPOLBALDH1A1MAPTMEN1
SCHEMBL10262840 0.76 KDM4E (0.62) KDM4EPOLBALDH1A1MAPTMEN1
SCHEMBL2116314 0.75 RAB9A (0.49) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL404141 0.75 ALDH1A1 (0.55) KDM4EPOLBALDH1A1MAPTMEN1
SCHEMBL2039522 0.74 KDM4E (0.60) KDM4EPOLBALDH1A1MAPTMEN1
SCHEMBL2619397 0.73 RAB9A (0.56) KDM4EPOLBMAPTMEN1KMT2A

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 KDM4E 769/4885POLB 578/4885ALDH1A1 298/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 KDM4E 769/4885POLB 578/4885ALDH1A1 298/4885

“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.