SCHEMBL20079712

SCHEMBL20079712

COc1ccccc1CCNC(=O)Cn1cnc2c1C(=O)N(C)C(O)N2C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ MTNR1A P48039 1/20 0.45
▸ MTNR1B P49286 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TRPA1 O75762 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ MEN1 O00255 1/20 0.42

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
SCHEMBL19590948 0.82 MTNR1A (0.46) MTNR1AMTNR1BPOLBKDM4EALDH1A1
SCHEMBL21218064 0.80 RAB9A (0.44) KMT2ATP53POLBHPGDKDM4E
SCHEMBL19997366 0.79 POLB (0.46) TDP1POLBHPGDKDM4EALDH1A1
SCHEMBL21217570 0.78 MAPK1 (0.36) KMT2AGAATP53POLBTRPA1
SCHEMBL20161778 0.77 NAMPT (0.35) TP53TRPA1ALDH1A1
SCHEMBL21218027 0.76 ALDH1A1 (0.40) KMT2APOLBKDM4EALDH1A1MEN1
SCHEMBL22085071 0.76 SMN1; SMN2 (0.46) KMT2APOLBKDM4EALDH1A1MEN1
SCHEMBL20290287 0.76 POLB (0.51) KMT2AGAAPOLBHPGDKDM4E
SCHEMBL19590972 0.75 MEN1 (0.47) TDP1KMT2ATP53POLBHPGD
SCHEMBL19590966 0.74 ALDH1A1 (0.51) KMT2AGAATP53POLBKDM4E

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 TDP1 1726/4885HDAC6 800/4885KMT2A 2953/4885

“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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