SCHEMBL6756644

SCHEMBL6756644

O=[N+]([O-])c1ccc(-c2cscn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
METAP1 P53582 1/20 0.52
RAB9A P51151 7/20 0.49
NPC1 O15118 4/20 0.49
APP P05067 2/20 0.47
LMNA P02545 4/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
XDH P47989 1/20 0.44
MAPK1 P28482 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
GAA P10253 3/20 0.43
AR P10275 1/20 0.43
PIK3CA P42336 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
SCHEMBL28693346 0.81 HSPB1 (0.60) MAPTMETAP1RAB9ALMNAMEN1
SCHEMBL20557961 0.80 RAB9A (0.54) MAPTMETAP1RAB9ANPC1LMNA
SCHEMBL3245236 0.75 CHEK2 (0.41) METAP1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL30461131 0.75 RAB9A (0.64) MAPTRAB9ANPC1APPLMNA
SCHEMBL6361432 0.74 MAPT (0.54) MAPTMETAP1LMNAMEN1KMT2A
SCHEMBL4075558 0.74 MAPT (0.69) MAPTRAB9ANPC1LMNAMEN1
SCHEMBL3528459 0.73 CA12 (0.40) ALDH1A1TDP1
SCHEMBL6512842 0.72 RAB9A (0.47) MAPTMETAP1RAB9ANPC1LMNA
SCHEMBL30461132 0.72 MAOB (0.54) MAPTRAB9ANPC1APPLMNA
SCHEMBL27617094 0.72 RAB9A (0.56) MAPTRAB9ANPC1APPLMNA

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 8 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-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-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
WO-2012082436-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2012-06-21 WO disclosed
US-20040087798-A1 Novel amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 US disclosed
EP-1264820-A1 NOVEL AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 EP 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-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT MAPT 1361/4885METAP1 723/4885RAB9A 3514/4885
US-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT MAPT 1361/4885METAP1 723/4885RAB9A 3514/4885
US-20040087798-A1 Novel amide compounds H1-2, H1-0, H1-3 MAPT 3247/4885METAP1 3509/4885RAB9A 1818/4885

“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.