SCHEMBL2118255

SCHEMBL2118255

COC(=O)c1ccc2c(=O)[nH]c(C)nc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.57
ALDH1A1 P00352 5/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
RAB9A P51151 3/20 0.57
HTT P42858 1/20 0.57
PARP1 P09874 4/20 0.53
TNKS O95271 1/20 0.52
CSNK2A1 P68400 2/20 0.51
HSD17B10 Q99714 4/20 0.50
MAPT P10636 2/20 0.50
NPC1 O15118 2/20 0.50
HPGD P15428 2/20 0.50
LMNA P02545 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TNKS2 Q9H2K2 1/20 0.50
USP2 O75604 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL16298810 0.86 ALDH1A1 (0.58) KDM4EALDH1A1SMN1; SMN2RAB9AHTT
SCHEMBL2117452 0.84 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2RAB9AHTT
SCHEMBL13343616 0.83 TNKS (0.53) KDM4EALDH1A1SMN1; SMN2RAB9AHTT
SCHEMBL2118977 0.83 HDAC6 (0.50) KDM4EALDH1A1SMN1; SMN2RAB9AHTT
SCHEMBL6979675 0.82 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2RAB9AHTT
SCHEMBL13343425 0.82 ALDH1A1 (0.54) KDM4EALDH1A1SMN1; SMN2RAB9AHTT
SCHEMBL2118620 0.81 KDM4E (0.72) KDM4EALDH1A1SMN1; SMN2RAB9AHTT
SCHEMBL31483754 0.81 KDM4E (0.72) KDM4EALDH1A1SMN1; SMN2RAB9AHTT
SCHEMBL10262840 0.81 KDM4E (0.62) KDM4EALDH1A1SMN1; SMN2RAB9AHTT
SCHEMBL5032566 0.81 HSP90AA1 (0.53) KDM4EALDH1A1SMN1; SMN2RAB9AHTT

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 12 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
US-8183276-B2 Therapeutic agents MERCK SHARP & DOHME CORP. 2012-05-22 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 769/4885ALDH1A1 298/4885SMN1; SMN2 848/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 KDM4E 769/4885ALDH1A1 298/4885SMN1; SMN2 848/4885

“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.