SCHEMBL8424563

SCHEMBL8424563

CCNC(=O)c1c(N)cccc1F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CRBN Q96SW2 1/20 0.45
ITGB2 P05107 2/20 0.43
ICAM1 P05362 2/20 0.43
ITGAL P20701 2/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
HDAC1 Q13547 1/20 0.41
TRPA1 O75762 2/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 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
SCHEMBL13226271 0.88 RAB9A (0.57) NPC1RAB9AITGB2ICAM1ITGAL
SCHEMBL14454225 0.87 NPC1 (0.51) NPC1RAB9ACRBNTRPA1KMT2A
SCHEMBL6989227 0.83 RAB9A (0.43) NPC1RAB9ACRBNITGB2ICAM1
SCHEMBL14454241 0.82 NPC1 (0.53) NPC1RAB9ACRBNITGB2ICAM1
SCHEMBL14454235 0.82 NPC1 (0.53) NPC1RAB9ACRBNITGB2ICAM1
SCHEMBL14454224 0.82 ITGB2 (0.46) NPC1RAB9ACRBNITGB2ICAM1
SCHEMBL15610734 0.82 NPC1 (0.49) NPC1RAB9ACRBNITGB2ICAM1
SCHEMBL15402236 0.81 CFTR (0.43) NPC1RAB9ACRBNCES2CES1
SCHEMBL17214431 0.81 NPC1 (0.47) NPC1RAB9AITGB2ICAM1ITGAL
SCHEMBL1202579 0.81 GAA (0.52) NPC1RAB9ACRBNITGB2ICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 US disclosed
US-20090011977-A1 Novel Lipopeptides as Antibacterial Agents HILL JASON 2009-01-08 US disclosed
US-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CUBIST PHARMACEUTICALS, INC. 2008-11-20 US disclosed
US-7408025-B2 Lipopeptides as antibacterial agents CUBIST PHARMACEUTICALS, INC. (US) 2008-08-05 US disclosed
US-7335725-B2 Lipopeptides as antibacterial agents CUBIST PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed
US-20050203006-A1 Novel lipopeptides as antibacterial agents MERCK SHARP & DOHME CORP. 2005-09-15 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 (4 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-20050203006-A1 Novel lipopeptides as antibacterial agents CLPTM1, NGLY1, VIP NPC1 1984/4885RAB9A 3163/4885CRBN 4603/4885
US-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP NPC1 1984/4885RAB9A 3163/4885CRBN 4603/4885
US-20090011977-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP NPC1 1984/4885RAB9A 3163/4885CRBN 4603/4885
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 NPC1 3306/4885RAB9A 826/4885CRBN 4457/4885

“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.