SCHEMBL564701

SCHEMBL564701

CC(C)(C)OC(=O)N1CCCC1C(=O)NCC(=O)c1cccc(Oc2ccc(C(=O)CNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
USP30 Q70CQ3 1/20 0.45
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45
GHSR Q92847 1/20 0.44
UCHL1 P09936 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 3/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 2/20 0.43
SIRT2 Q8IXJ6 2/20 0.42
SCN5A Q14524 1/20 0.42
SCN3A Q9NY46 1/20 0.42

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
SCHEMBL564702 1.00 NPC1 (0.52) NPC1ALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL697981 0.95 ALDH1A1 (0.47) NPC1ALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL883239 0.92 NPC1 (0.59) NPC1ALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL883027 0.92 HTR2C (0.46) NPC1ALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL10182646 0.86 USP30 (0.58) NPC1ALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL564703 0.85 ALDH1A1 (0.44) NPC1ALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL14845515 0.85 NPC1 (0.60) NPC1ALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL11910976 0.85 NPC1 (0.60) NPC1ALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL882753 0.85 ALDH1A1 (0.49) NPC1ALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL23247917 0.84 SMN1; SMN2 (0.53) NPC1ALDH1A1LMNANPSR1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436036-B2 Diaryl ethers JANSSEN R&D IRELAND (IE) 2013-05-07 US disclosed
US-20120034678-A1 Diaryl Ethers JANSSEN SCIENCES IRELAND UC (IE) 2012-02-09 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-20120034678-A1 Diaryl Ethers SLC10A1, CYP2F1, UGT1A1 NPC1 62/4885ALDH1A1 325/4885LMNA 2568/4885

“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.