SCHEMBL15075803

SCHEMBL15075803

Cn1c(=O)c2c(ncn2CC(=O)Nc2nncs2)n(C)c1=O

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 5/20 0.64
▸ HSD17B10 Q99714 1/20 0.61
▸ THRB P10828 1/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ KMT2A Q03164 2/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ KDM4E B2RXH2 1/20 0.59
▸ TRPA1 O75762 1/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ MAPT P10636 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ PORCN Q9H237 1/20 0.58
▸ ADORA2B P29275 1/20 0.58

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
SCHEMBL10113920 0.83 PORCN (0.70) RXFP1HSD17B10THRBCYP1A2KMT2A
SCHEMBL18166643 0.82 RXFP1 (0.72) RXFP1HSD17B10THRBCYP1A2KMT2A
SCHEMBL18166677 0.81 RXFP1 (0.70) RXFP1HSD17B10THRBCYP1A2KMT2A
SCHEMBL15727746 0.80 HSD17B10 (0.75) RXFP1HSD17B10THRBCYP1A2KMT2A
SCHEMBL17200781 0.79 RXFP1 (0.68) RXFP1HSD17B10THRBCYP1A2KMT2A
SCHEMBL15375895 0.79 KMT2A (0.74) RXFP1THRBCYP1A2KMT2AMEN1
SCHEMBL10113960 0.79 HSD17B10 (0.72) RXFP1HSD17B10THRBCYP1A2KMT2A
SCHEMBL18166765 0.79 HSD17B10 (0.78) RXFP1HSD17B10CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL18166618 0.78 MAPT (0.79) RXFP1HSD17B10CYP1A2KMT2AMEN1
SCHEMBL18166709 0.78 SMN1; SMN2 (0.73) RXFP1HSD17B10THRBCYP1A2KMT2A

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 4 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
EP-3184527-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL Hydra Biosciences, Inc. (US) 2017-06-28 — — EP disclosed
US-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. (US) 2013-06-27 — — 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-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 RXFP1 3119/4885HSD17B10 3677/4885THRB 4543/4885
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 RXFP1 3119/4885HSD17B10 3677/4885THRB 4543/4885

“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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