SCHEMBL22964339

SCHEMBL22964339

CCC(=O)N(C)CCc1cccc(CCCC(=O)N(C)CCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.55
LTB4R Q15722 7/20 0.49
LTB4R2 Q9NPC1 7/20 0.49
BCHE P06276 2/20 0.49
ACHE P22303 2/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HDAC3 O15379 1/20 0.45
MAPK1 P28482 1/20 0.45
ADRA1A P35348 1/20 0.45
HDAC4 P56524 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HDAC1 Q13547 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45

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
SCHEMBL4144964 0.85 LTB4R (0.56) LTB4RLTB4R2KMT2ANPC1RAB9A
SCHEMBL17117230 0.84 ALOX5 (0.71) ALOX5LTB4RLTB4R2BCHEACHE
SCHEMBL7426776 0.83 KMT2A (0.57) ALOX5LTB4RLTB4R2BCHEACHE
SCHEMBL7358726 0.80 ALOX5 (0.59) ALOX5LTB4RLTB4R2BCHEACHE
SCHEMBL12017300 0.79 KMT2A (0.60) ALOX5LTB4RLTB4R2BCHEACHE
SCHEMBL14219225 0.79 KMT2A (0.74) ALOX5LTB4RLTB4R2KMT2ANPC1
SCHEMBL10106179 0.76 FDFT1 (0.71) LTB4RLTB4R2SMN1; SMN2
SCHEMBL8274813 0.76 LTB4R (0.54) ALOX5LTB4RLTB4R2BCHEACHE
SCHEMBL15598279 0.76 ALOX5 (0.54) ALOX5LTB4RLTB4R2BCHEACHE
SCHEMBL8493143 0.74 ALOX5 (0.69) ALOX5KMT2ANPC1RAB9AHDAC3

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-10961231-B2 NTCP inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-03-30 US disclosed
US-20210040072-A1 NTCP Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-02-11 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 (2 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-20210040072-A1 NTCP Inhibitors HAVCR2, NPC1, HMGCR ALOX5 3803/4885LTB4R 2616/4885LTB4R2 3445/4885
US-10961231-B2 NTCP inhibitors HAVCR2, NPC1, HMGCR ALOX5 3803/4885LTB4R 2616/4885LTB4R2 3445/4885

“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.