SCHEMBL20079645

SCHEMBL20079645

CNC(=O)c1c(NC)ncn1CC(=O)Nc1cncc(-c2ccc(Cl)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.44
▸ YTHDC1 Q96MU7 1/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ SCN10A Q9Y5Y9 2/20 0.41
▸ NTRK1 P04629 4/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ KDR P35968 3/20 0.37
▸ XDH P47989 1/20 0.37
▸ SLC22A12 Q96S37 1/20 0.37
▸ CHRNA7 P36544 1/20 0.37
▸ FLT1 P17948 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SCN2A Q99250 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
SCHEMBL19036693 0.83 SCN10A (0.37) CYP11B2CNR1SCN10AGRIN1GRIN2B
SCHEMBL19036437 0.76 ALDH1A1 (0.58) YTHDC1MEN1KMT2AMAPT
SCHEMBL20079689 0.71 KMT2A (0.50) YTHDC1MEN1GAATSHRKMT2A
SCHEMBL20079665 0.71 HDAC1 (0.48) YTHDC1FLT1
SCHEMBL20079735 0.70 POLB (0.48) MEN1KMT2ATP53MAPT
SCHEMBL20079722 0.70 YTHDC1 (0.45) YTHDC1MEN1KMT2ATP53MAPT
SCHEMBL19036487 0.69 YTHDC1 (0.37) YTHDC1MEN1GAATSHRKMT2A
SCHEMBL14754445 0.68 RAB9A (0.49) YTHDC1MEN1KMT2ATP53MAPT
SCHEMBL10280149 0.68 TRPA1 (0.36) YTHDC1
SCHEMBL20079655 0.67 MAPT (0.47) YTHDC1MEN1TSHRKMT2AKDR

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 CYP11B2 3085/4885YTHDC1 4155/4885CNR1 100/4885

“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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