SCHEMBL20161621

SCHEMBL20161621

Cn1c(=O)c2c(n(CC3CCC3)c1=O)NCN2CC(=O)Nc1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ THRB P10828 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ FPR2 P25090 10/20 0.38
▸ AKR1B1 P15121 1/20 0.38
▸ SMYD3 Q9H7B4 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ GAA P10253 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ FPR1 P21462 3/20 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
SCHEMBL20161623 0.75 ALDH1A1 (0.46) KMT2AALDH1A1KDM4EAKR1B1SMN1; SMN2
SCHEMBL21133501 0.63 TP53 (0.55) ALDH1A1HTTTP53MAPT
SCHEMBL19036626 0.62 GAA (0.37) KMT2AALDH1A1THRBL3MBTL1GAA
SCHEMBL11520494 0.61 RAB9A (0.97) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL21935727 0.61 PORCN (0.58) —
SCHEMBL21936455 0.61 PORCN (0.51) MAPT
SCHEMBL31259070 0.61 PARG (0.57) —
SCHEMBL21935792 0.60 PDE7A (0.35) KMT2AALDH1A1HTTTP53ADORA2B
SCHEMBL7401491 0.60 KMT2A (0.87) NPC1RAB9AKMT2AALDH1A1ALOX12
SCHEMBL14470695 0.60 ALDH1A1 (0.45) NPC1RAB9AKMT2AALDH1A1ALOX12

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 NPC1 73/4885RAB9A 2306/4885KMT2A 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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