SCHEMBL11926960

SCHEMBL11926960

N#Cc1ccc(C(=O)OCC(=O)NCCCCCCNC(=O)COC(=O)c2ccc(C#N)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ KMT2A Q03164 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.48
▸ MGLL Q99685 1/20 0.48
▸ ADRB2 P07550 1/20 0.47
▸ ADRB1 P08588 1/20 0.47
▸ ADRB3 P13945 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ AOC3 Q16853 1/20 0.46

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
SCHEMBL11926959 0.85 FOLH1 (0.44) NPC1RAB9AKMT2AMAPTL3MBTL1
SCHEMBL20040445 0.82 KMT2A (0.52) NPC1RAB9AKMT2AMAPTLMNA
SCHEMBL15006372 0.78 NPC1 (0.50) NPC1RAB9AKMT2AMAPTLMNA
SCHEMBL5546309 0.77 NAMPT (0.67) NPC1RAB9AKMT2AL3MBTL1MGLL
SCHEMBL20707157 0.77 NAMPT (0.67) NPC1RAB9AKMT2AL3MBTL1MGLL
SCHEMBL5515823 0.77 NAMPT (0.67) NPC1RAB9AKMT2AL3MBTL1MGLL
SCHEMBL5543873 0.77 NAMPT (0.67) NPC1RAB9AKMT2AL3MBTL1MGLL
SCHEMBL20040443 0.76 NPC1 (0.51) NPC1RAB9AKMT2AMAPTLMNA
SCHEMBL24112443 0.75 TDP1 (0.65) KMT2AMAPTL3MBTL1ALDH1A1TDP1
SCHEMBL5536198 0.75 NAMPT (0.64) NPC1RAB9AKMT2AALDH1A1HDAC3

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-20120208896-A1 AMINO ACID DERIVATIVES AND ABSORABLE POLYMERS THEREFROM BEZWADA BIOMEDICAL, LLC. (US) 2012-08-16 — — 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-20120208896-A1 AMINO ACID DERIVATIVES AND ABSORABLE POLYMERS THEREFROM SLC7A1, SLC3A2, BCAT2 NPC1 3612/4885RAB9A 3509/4885KMT2A 1401/4885

“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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