SCHEMBL660357

SCHEMBL660357

NC(=O)Cc1ccnn1C1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.45
PKM P14618 2/20 0.42
KMT2A Q03164 3/20 0.40
BRD4 O60885 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
HSD11B1 P28845 2/20 0.36
GAA P10253 1/20 0.36
CTSK P43235 2/20 0.35
PIK3CD O00329 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
SCHEMBL29099681 0.82 CYP4F2 (0.44) NR3C2ALDH1A1LMNA
SCHEMBL16815601 0.78 PKM (0.41) NR3C2PKMKMT2ABRD4MEN1
SCHEMBL26690789 0.77 PIK3CD (0.41) NR3C2PKMKMT2AMEN1ALDH1A1
SCHEMBL26416283 0.77 NR3C2 (0.49) NR3C2PKMKMT2ABRD4MEN1
SCHEMBL16815947 0.77 PKM (0.43) NR3C2PKMKMT2ABRD4MEN1
SCHEMBL14335305 0.76 NR3C2 (0.48) NR3C2PKMKMT2ABRD4MEN1
SCHEMBL26396444 0.73 NR3C2 (0.46) NR3C2PKMKMT2ABRD4MEN1
SCHEMBL22637693 0.73 KMT2A (0.46) NR3C2PKMKMT2ABRD4MEN1
SCHEMBL26690735 0.72 KMT2A (0.45) NR3C2PKMKMT2ABRD4MEN1
SCHEMBL29757952 0.72 KMT2A (0.57) NR3C2PKMKMT2ABRD4SMN1; SMN2

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-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELI LILLY AND COMPANY (US) 2020-07-07 US disclosed
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2019-06-27 US disclosed
US-20180265511-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2018-09-20 US disclosed
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 US disclosed
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. 2013-03-07 US disclosed
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS ELI LILLY AND COMPANY 2012-02-23 US disclosed
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2009-06-04 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 (7 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-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELANE, CASP3, MMP8 NR3C2 3870/4885PKM 3563/4885KMT2A 2953/4885
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 NR3C2 443/4885PKM 1876/4885KMT2A 4200/4885
US-20180265511-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 NR3C2 3870/4885PKM 3563/4885KMT2A 2953/4885
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 NR3C2 443/4885PKM 1876/4885KMT2A 4200/4885
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS TRPA1, TRPV1, TRPV3 NR3C2 487/4885PKM 1467/4885KMT2A 3764/4885
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 NR3C2 3870/4885PKM 3563/4885KMT2A 2953/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 NR3C2 443/4885PKM 1876/4885KMT2A 4200/4885

“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.