SCHEMBL20161977

SCHEMBL20161977

Cn1c(N)c(C(=N)CC=O)c(=O)n(C)c1=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
KDM4E B2RXH2 3/20 0.51
GLA P06280 1/20 0.51
KMT2A Q03164 2/20 0.46
HTT P42858 4/20 0.43
RXFP1 Q9HBX9 6/20 0.41
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 1/20 0.38

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
SCHEMBL15798497 0.70 ALDH1A1 (0.62) ALDH1A1KDM4EGLAKMT2AHTT
SCHEMBL9537153 0.70 ALDH1A1 (0.62) ALDH1A1KDM4EGLAKMT2AHTT
SCHEMBL1029816 0.67 KMT2A (0.43) ALDH1A1KDM4EGLAKMT2AHTT
SCHEMBL15075712 0.66 MAPT (0.44) ALDH1A1KDM4EGLAKMT2AHTT
SCHEMBL15384246 0.66 ALDH1A1 (0.41) ALDH1A1KDM4EGLAKMT2AHTT
SCHEMBL9539146 0.65 ALDH1A1 (0.64) ALDH1A1KDM4EGLAKMT2AHTT
SCHEMBL476164 0.65 ALDH1A1 (0.51) ALDH1A1KDM4EGLAKMT2AHTT
SCHEMBL4519253 0.63 ALDH1A1 (0.50) ALDH1A1KDM4EGLAKMT2AHTT
SCHEMBL12322876 0.62 MAPT (0.52) ALDH1A1KDM4EGLAKMT2AHTT
SCHEMBL19036686 0.62 RXFP1 (0.39) ALDH1A1KDM4EGLAKMT2AHTT

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-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 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-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 ALDH1A1 968/4885KDM4E 4704/4885GLA 3504/4885

“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.