SCHEMBL20079646

SCHEMBL20079646

Cn1c(=O)c2c(ncn2CC(=O)Nc2cccc3[nH]ccc23)n(C)c1=O

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 5/20 0.69
▸ TP53 P04637 3/20 0.69
▸ CYP1A2 P05177 1/20 0.67
▸ ALOX15 P16050 1/20 0.63
▸ ALDH1A1 P00352 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ POLB P06746 1/20 0.60
▸ TSHR P16473 1/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ APEX1 P27695 1/20 0.59
▸ ATM Q13315 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ MEN1 O00255 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.57
▸ TRPA1 O75762 1/20 0.56

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
SCHEMBL10113952 0.84 CYP1A2 (0.75) RXFP1TP53CYP1A2ALOX15ALDH1A1
SCHEMBL14754487 0.81 CYP1A2 (0.68) RXFP1TP53CYP1A2ALOX15ALDH1A1
SCHEMBL19036489 0.81 KMT2A (0.74) RXFP1TP53CYP1A2ALOX15ALDH1A1
SCHEMBL19036514 0.80 CYP1A2 (0.67) RXFP1TP53CYP1A2ALOX15ALDH1A1
SCHEMBL10114474 0.80 CYP1A2 (1.00) RXFP1TP53CYP1A2ALOX15ALDH1A1
SCHEMBL20161789 0.80 RXFP1 (0.69) RXFP1TP53CYP1A2ALOX15KMT2A
SCHEMBL20161787 0.80 RXFP1 (0.69) RXFP1TP53CYP1A2ALOX15KMT2A
SCHEMBL10113906 0.79 RXFP1 (0.84) RXFP1TP53CYP1A2ALOX15ALDH1A1
SCHEMBL12584350 0.79 CYP1A2 (0.78) RXFP1TP53CYP1A2ALOX15ALDH1A1
SCHEMBL19036714 0.79 RXFP1 (0.73) RXFP1TP53CYP1A2ALOX15ALDH1A1

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 3 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-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 — — 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 (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-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 RXFP1 1374/4885TP53 4574/4885CYP1A2 1369/4885
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 RXFP1 3119/4885TP53 1505/4885CYP1A2 1483/4885

“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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