SCHEMBL20079775

SCHEMBL20079775

CNC(=O)c1c(NC)ncn1CC(=O)N1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ LMNA P02545 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ USP2 O75604 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ GRIN2B Q13224 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL10280149 0.79 TRPA1 (0.36) —
SCHEMBL19036600 0.77 YTHDC1 (0.37) —
SCHEMBL9010469 0.75 IKBKB (0.36) TP53
SCHEMBL18175167 0.75 LMNA (0.37) LMNA
SCHEMBL27967273 0.72 KMT2A (0.42) KMT2A
SCHEMBL19036512 0.71 P2RY1 (0.37) —
SCHEMBL29188197 0.70 POLB (0.41) ALDH1A1LMNA
SCHEMBL15416672 0.64 LMNA (0.67) PTGS2ALDH1A1LMNAKDM4EGAA
SCHEMBL21861648 0.63 RAB9A (0.38) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL5033561 0.61 FDPS (0.48) PTGS2KMT2AMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2019-06-27 — — US disclosed
US-9951073-B2 Compounds and compositions for treating chemical warfare agent-induced injuries HYDRA BIOSCIENCES, INC. (US) 2018-04-24 — — 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 (1 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-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 PTGS2 459/4885KMT2A 2953/4885MEN1 1785/4885

“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.

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