SCHEMBL19734564

SCHEMBL19734564

CC(=O)C1CC(N(Cc2ccccc2)Cc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
DPP8 Q6V1X1 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
YTHDC1 Q96MU7 1/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 1/20 0.40
MAOA P21397 1/20 0.40
TSPO P30536 1/20 0.40
CCR5 P51681 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL3709552 0.86 MEN1 (0.47) KMT2AMEN1DPP8DPP7NPC1
SCHEMBL16216060 0.85 MEN1 (0.51) KMT2AMEN1DPP8DPP7NPC1
SCHEMBL1933310 0.85 MEN1 (0.51) KMT2AMEN1DPP8DPP7NPC1
SCHEMBL2994780 0.84 KMT2A (0.46) KMT2AMEN1DPP8DPP7NPC1
SCHEMBL2994779 0.84 KMT2A (0.46) KMT2AMEN1DPP8DPP7NPC1
SCHEMBL16590857 0.83 ALDH1A1 (0.46) KMT2AMEN1DPP8DPP7NPC1
SCHEMBL22821135 0.83 ALDH1A1 (0.46) KMT2AMEN1DPP8DPP7NPC1
SCHEMBL17374347 0.80 PKM (0.48) KMT2AMEN1LMNAALDH1A1
SCHEMBL1489230 0.80 PKM (0.48) KMT2AMEN1LMNAALDH1A1
SCHEMBL17374224 0.80 ALDH1A1 (0.43) KMT2AMEN1DPP8DPP7NPC1

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-20170362214-A1 DERIVATIVES OF 3-HETEROARYLISOXAZOL-5-CARBOXYLIC AMIDE USEFUL FOR THE TREATMENT OF INTER ALIA CYSTIC FIBROSIS PROTEOSTASIS THERAPEUTICS, INC. (US) 2017-12-21 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-20170362214-A1 DERIVATIVES OF 3-HETEROARYLISOXAZOL-5-CARBOXYLIC AMIDE USEFUL FOR THE TREATMENT OF INTER ALIA CYSTIC FIBROSIS CFTR, ABCC5, ABCD3 KMT2A 3963/4885MEN1 4876/4885DPP8 317/4885

“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.