SCHEMBL13292774

SCHEMBL13292774

Nc1cc(N)cc(C(=O)Oc2ccc3ccc(OC(=O)c4cc(N)cc(N)c4)cc3c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.59
MEN1 O00255 7/20 0.59
MAPT P10636 3/20 0.59
TDP1 Q9NUW8 1/20 0.59
ESR1 P03372 5/20 0.49
CASP3 P42574 2/20 0.48
SENP8 Q96LD8 2/20 0.48
SENP7 Q9BQF6 2/20 0.48
SENP6 Q9GZR1 2/20 0.48
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 1/20 0.45
HGFAC Q04756 2/20 0.44
TMPRSS2 O15393 1/20 0.44
MLNR O43193 1/20 0.44
F2 P00734 1/20 0.44
C1R P00736 1/20 0.44
F10 P00742 1/20 0.44
PLG P00747 1/20 0.44
F12 P00748 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL22354413 0.88 MEN1 (0.55) KMT2AMEN1MAPTTDP1ESR1
SCHEMBL20348502 0.87 PRSS1 (0.50) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL13292773 0.86 KMT2A (0.64) KMT2AMEN1MAPTTDP1ESR1
SCHEMBL13292770 0.85 KMT2A (0.63) KMT2AMEN1MAPTTDP1ESR1
SCHEMBL13292728 0.83 F2 (0.56) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL13292750 0.81 MAPT (0.46) KMT2AMEN1MAPTTDP1HSD17B10
SCHEMBL8628651 0.80 MAPT (0.47) KMT2AMEN1MAPTTDP1ESR1
SCHEMBL5710317 0.79 KMT2A (0.75) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL13241486 0.79 THRB (0.45) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL2697813 0.79 KMT2A (0.71) KMT2AMEN1TDP1ALDH1A1HSD17B10

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-20130203895-A1 CURING AGENTS FOR EPOXY RESINS DESIGNER MOLECULES, INC. (US) 2013-08-08 US disclosed
US-20130203895-A1 CURING AGENTS FOR EPOXY RESINS DESIGNER MOLECULES, INC. (US) 2013-08-08 US disclosed
US-20130012620-A1 CURING AGENTS FOR EPOXY RESINS DESIGNER MOLECULES, INC. (US) 2013-01-10 US disclosed
US-20130012620-A1 CURING AGENTS FOR EPOXY RESINS DESIGNER MOLECULES, INC. (US) 2013-01-10 US disclosed
US-8288591-B2 Curing agents for epoxy resins DESIGNER MOLECULES, INC. (US) 2012-10-16 US disclosed
US-8288591-B2 Curing agents for epoxy resins DESIGNER MOLECULES, INC. (US) 2012-10-16 US disclosed
US-20100144977-A1 CURING AGENTS FOR EPOXY RESINS DESIGNER MOLECULES, INC. (US) 2010-06-10 US disclosed
US-20100144977-A1 CURING AGENTS FOR EPOXY RESINS DESIGNER MOLECULES, INC. (US) 2010-06-10 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-20130012620-A1 CURING AGENTS FOR EPOXY RESINS DOT1L, EHMT1, ASH1L KMT2A 271/4885MEN1 3864/4885MAPT 1749/4885
US-20100144977-A1 CURING AGENTS FOR EPOXY RESINS PTGER3, PTGER4, ELL KMT2A 669/4885MEN1 3568/4885MAPT 3745/4885

“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.