SCHEMBL9940567

SCHEMBL9940567

CC(C)c1ccc2[nH]c(Cl)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLKL Q8NB16 2/20 0.43
SCN10A Q9Y5Y9 1/20 0.41
KIF11 P52732 1/20 0.39
EIF4A3 P38919 2/20 0.38
KDM4E B2RXH2 5/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
SCN4A P35499 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC6 Q9UBN7 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL2728712 0.86 SCN10A (0.55) MLKLSCN10AKIF11EIF4A3KDM4E
SCHEMBL889358 0.80 HSD17B10 (0.59) MLKLSCN10AKIF11EIF4A3KDM4E
SCHEMBL6888843 0.80 ALDH1A1 (0.44) MLKLSCN10AKIF11EIF4A3KDM4E
SCHEMBL5683519 0.79 FABP6 (0.50) MLKLSCN10AKIF11EIF4A3KDM4E
SCHEMBL18930958 0.79 SCN10A (0.41) MLKLSCN10AKIF11EIF4A3KDM4E
SCHEMBL5988285 0.76 SMN1; SMN2 (0.43) MLKLSCN10AKIF11EIF4A3KDM4E
SCHEMBL10299138 0.76 DDAH1 (0.54) MLKLSCN10AKIF11EIF4A3KDM4E
SCHEMBL3490546 0.76 KMT2A (0.44) KDM4ELMNARAB9ANPC1ALDH1A1
SCHEMBL1192946 0.75 F7 (0.47) KDM4EHSD17B10RAB9ANPC1SMN1; SMN2
SCHEMBL20644416 0.75 NPSR1 (0.53) MLKLSCN10AKIF11EIF4A3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. 2016-03-10 US disclosed
US-9029343-B2 Modulators of histone methyltransferase, and methods of use thereof Epizyme, Inc. (US) 2015-05-12 US disclosed
US-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. (US) 2013-11-21 US disclosed
US-8557848-B2 4,5-ring annulated indole derivatives for treating or preventing of HCV and related viral infections MERCK SHARP & DOHME CORP. (US) 2013-10-15 US disclosed
EP-2646455-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2013-10-09 EP disclosed
WO-2012082436-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2012-06-21 WO disclosed
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION 2010-04-22 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 (3 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-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS ZC3HAV1, IDO1, ZC3HAV1L MLKL 776/4885SCN10A 4384/4885KIF11 2269/4885
US-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT MLKL 2226/4885SCN10A 3785/4885KIF11 3527/4885
US-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT MLKL 2226/4885SCN10A 3785/4885KIF11 3527/4885

“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.