SCHEMBL13292736

SCHEMBL13292736

Nc1cccc(OC(=O)c2ccc3cc(C(=O)Oc4cccc(N)c4)ccc3c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
MAPT P10636 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
ESR1 P03372 3/20 0.46
ESR2 Q92731 2/20 0.46
HGFAC Q04756 2/20 0.46
PRSS1 P07477 3/20 0.45
ACR P10323 2/20 0.45
F2 P00734 2/20 0.44
CYP3A4 P08684 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
CHRM1 P11229 2/20 0.44
ADRA1A P35348 2/20 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
SCHEMBL13292720 0.91 PRSS1 (0.51) KMT2AMEN1MAPTTDP1ESR1
SCHEMBL30473277 0.91 PRSS1 (0.51) KMT2AMEN1MAPTTDP1ESR1
SCHEMBL22699757 0.90 ESR1 (0.46) KMT2AMEN1MAPTTDP1CASP3
SCHEMBL31601071 0.89 ESR1 (0.53) KMT2AMEN1MAPTTDP1CASP3
SCHEMBL9188677 0.89 ESR1 (0.53) KMT2AMEN1MAPTTDP1CASP3
SCHEMBL13292713 0.89 ESR1 (0.53) KMT2AMEN1MAPTTDP1CASP3
SCHEMBL30312335 0.89 ESR1 (0.53) KMT2AMEN1MAPTTDP1CASP3
SCHEMBL9185619 0.88 NR1H4 (0.54) KMT2AMEN1MAPTTDP1HGFAC
SCHEMBL5437080 0.86 ESR1 (0.53) KMT2AMEN1MAPTTDP1CASP3
SCHEMBL30164695 0.86 ESR1 (0.53) KMT2AMEN1MAPTTDP1CASP3

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.