SCHEMBL19036473

SCHEMBL19036473

CNC(=O)c1c(NC)ncn1CC(=O)Nc1nccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ YTHDC1 Q96MU7 1/20 0.44
▸ QPCT Q16769 1/20 0.39
▸ FDPS P14324 1/20 0.39
▸ DRD2 P14416 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ MAP3K7 O43318 2/20 0.38
▸ MAP3K6 O95382 2/20 0.38
▸ MAP3K5 Q99683 2/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ PLK1 P53350 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ CREBBP Q92793 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
SCHEMBL20079722 0.78 YTHDC1 (0.45) YTHDC1MEN1KMT2AHTTRXFP1
SCHEMBL19036471 0.73 CYP1A2 (0.66) MEN1KMT2ARXFP1ALDH1A1ALOX15
SCHEMBL31606592 0.72 KMT2A (0.50) QPCTFDPSDRD2DRD4DRD3
SCHEMBL4410540 0.72 KMT2A (0.50) QPCTFDPSDRD2DRD4DRD3
SCHEMBL15075675 0.71 CYP1A2 (0.46) RXFP1MAPTALDH1A1ALOX15SMN1; SMN2
SCHEMBL10280149 0.71 TRPA1 (0.36) YTHDC1RXFP1
SCHEMBL15384477 0.71 CYP1A2 (0.50) KDM4ERXFP1ALDH1A1ALOX15POLB
SCHEMBL10394340 0.70 GAA (0.54) YTHDC1BRD4
SCHEMBL20079665 0.70 HDAC1 (0.48) YTHDC1HTTSMN1; SMN2
SCHEMBL7937683 0.70 FDPS (0.49) FDPSDRD2DRD4DRD3MAP3K7

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-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

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 YTHDC1 4155/4885QPCT 2310/4885FDPS 4041/4885

“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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