SCHEMBL21133501

SCHEMBL21133501

CCc1cccc(C)c1NC(=O)CN1CNc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 5/20 0.55
▸ MAPT P10636 3/20 0.45
▸ POLB P06746 6/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ DRD4 P21917 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL21935727 0.72 PORCN (0.58) —
SCHEMBL10114484 0.71 TP53 (1.00) TP53POLBMAPK1RXFP1
SCHEMBL4518207 0.70 TSHR (0.38) MAPTPOLBALDH1A1HTT
SCHEMBL21936455 0.70 PORCN (0.51) MAPT
SCHEMBL11173152 0.69 DRD4 (0.53) TP53MAPTPOLBMAPK1DRD4
SCHEMBL4532619 0.68 ALDH1A1 (0.41) MAPTPOLBALDH1A1
SCHEMBL20079704 0.68 TRPA1 (0.37) TP53MAPTPOLBMAPK1RXFP1
SCHEMBL12923166 0.67 POLB (0.64) MAPTPOLBMAPK1ALDH1A1HTT
SCHEMBL12812272 0.65 POLB (0.65) MAPTPOLBALDH1A1HTT
SCHEMBL11414687 0.65 POLB (0.61) MAPTPOLBMAPK1ALDH1A1HTT

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 1 patent. 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

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 TP53 1505/4885MAPT 2844/4885POLB 2332/4885

“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.

Send feedback