SCHEMBL5020256

SCHEMBL5020256

CC(C)C(=O)c1ccc2cc(Cl)c(Cl)cc2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 5/20 0.37
KDM4E B2RXH2 3/20 0.36
DBH P09172 1/20 0.36
GAA P10253 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CNR2 P34972 2/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
TNNI3 P19429 1/20 0.33
TNNT2 P45379 1/20 0.33
TNNC1 P63316 1/20 0.33
RUNX1 Q01196 1/20 0.33
CBFB Q13951 1/20 0.33

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
SCHEMBL8745750 0.89 CHRNA1 (0.35) KDM4EDBHGAARECQLKMT2A
SCHEMBL4562086 0.84 CNR2 (0.37) KDM4ECNR2
SCHEMBL2715968 0.79 MGAM (0.53) KDM4EKMT2AMEN1MGAMALDH1A1
SCHEMBL2716861 0.79 MMP1 (0.37) KDM4EGAAKMT2ANPC1RAB9A
SCHEMBL2723625 0.78 AKR1C3 (0.45) KDM4EDBHGAARECQLKMT2A
SCHEMBL15294421 0.77 HSD17B14 (0.51) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL2723291 0.75 BACE1 (0.46) KMT2ANPC1RAB9AALDH1A1
SCHEMBL12798514 0.74 CNR2 (0.48) KDM4EGAANPC1RAB9ACNR2
SCHEMBL10136676 0.74 MGAM (0.61) KDM4EGAAKMT2ANPC1RAB9A
SCHEMBL2724070 0.71 SCN9A (0.47)

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019182743-A1 COMPOSITIONS FOR THE TREATMENT OF BRAIN TUMORS INNOCRIN PHARMACEUTICALS, INC. (US) 2019-09-26 WO disclosed
US-20180221364-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2018-08-09 US disclosed
US-20170143694-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2017-05-25 US disclosed
US-20170143694-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2017-05-25 US disclosed
US-20140121248-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-05-01 US disclosed
US-20140121248-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-05-01 US disclosed
US-8623892-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-01-07 US disclosed
US-8623892-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-01-07 US disclosed
US-20130184309-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2013-07-18 US disclosed
US-20130184309-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2013-07-18 US disclosed
US-8389543-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2013-03-05 US disclosed
US-8389543-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2013-03-05 US disclosed
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
WO-2012064943-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-18 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 (5 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-20140121248-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO GLP1R 1649/4885KDM4E 3322/4885DBH 598/4885
US-20180221364-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO GLP1R 1649/4885KDM4E 3322/4885DBH 598/4885
US-20130184309-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO GLP1R 1649/4885KDM4E 3322/4885DBH 598/4885
US-20170143694-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO GLP1R 1649/4885KDM4E 3322/4885DBH 598/4885
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO GLP1R 1649/4885KDM4E 3322/4885DBH 598/4885

“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.