SCHEMBL20161623

SCHEMBL20161623

Cc1ccc(NC(=O)CN2CNc3c2c(=O)n(C)c(=O)n3C)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ AKR1B1 P15121 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ TRPA1 O75762 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ G6PD P11413 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
SCHEMBL21133501 0.79 TP53 (0.55) ALDH1A1MAPTPOLBRXFP1
SCHEMBL20161621 0.75 NPC1 (0.42) ALDH1A1SMN1; SMN2KMT2AAKR1B1MAPT
SCHEMBL21936455 0.74 PORCN (0.51) MAPT
SCHEMBL21935727 0.74 PORCN (0.58) —
SCHEMBL21935436 0.74 RAB9A (0.52) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL4539306 0.73 MAPT (0.42) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL21935792 0.73 PDE7A (0.35) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL20079704 0.73 TRPA1 (0.37) SMN1; SMN2KMT2AMEN1MAPTPOLB
SCHEMBL19036626 0.69 GAA (0.37) ALDH1A1KMT2ARXFP1
SCHEMBL12177211 0.69 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2KMT2AMEN1AKR1B1

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 968/4885SMN1; SMN2 129/4885KMT2A 4200/4885

“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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