SCHEMBL5186111

SCHEMBL5186111

O=C(NCCc1cc[c]cc1)c1cccc(F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
GAA P10253 1/20 0.56
HDAC1 Q13547 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
MAPT P10636 1/20 0.53
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NAMPT P43490 2/20 0.48

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
SCHEMBL1972631 0.87 HDAC2 (0.71) LMNAGAAHDAC1HDAC6HDAC3
SCHEMBL28145226 0.86 ALDH1A1 (0.64) LMNAGAAHDAC1HDAC6HDAC2
SCHEMBL5188495 0.82 NPC1 (0.72) LMNAHDAC6HDAC2HDAC8NPC1
SCHEMBL5185990 0.82 HDAC2 (0.64) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL5186208 0.80 RAB9A (0.62) GAANPC1RAB9AMAPTALDH1A1
SCHEMBL1331613 0.78 LMNA (0.67) LMNAGAAHDAC1HDAC6HDAC3
SCHEMBL29410987 0.78 RAB9A (0.66) GAAHDAC1HDAC6HDAC3HDAC4
SCHEMBL28779663 0.77 HDAC2 (0.75) LMNAGAAHDAC6HDAC2HDAC8
SCHEMBL29583694 0.77 GAA (0.62) LMNAGAAHDAC1HDAC6MAPT
SCHEMBL29818026 0.77 NPC1 (0.75) LMNAGAAHDAC1HDAC6HDAC3

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183232-B1 MONOFLUOROALKYL DERIVATIVES LILLY CO ELI (US) 2007-10-03 EP disclosed
US-7135487-B2 such as N-2-(4-Bromophenyl)propyl methanesulfonamide; sulfonamidation of the amine; glutamate receptor potentiators ELI LILLY AND COMPANY (US) 2006-11-14 US disclosed
US-7034045-B1 Monofluoroalkyl derivatives ELI LILLY AND COMPANY (US) 2006-04-25 US disclosed
US-20060030599-A1 SULPHONAMIDE DERIVATIVES ARNOLD MACKLIN B 2006-02-09 US disclosed
CN-1240677-C Monofluoroalkyl derivatives LILLY CO ELI (US) 2006-02-08 CN disclosed
EP-1395550-B1 CYCLOALKENYLSULFONAMIDE DERIVATIVES LILLY CO ELI (US) 2005-06-29 EP disclosed
US-6911476-B2 Sulfonamide derivatives ELI LILLY AND COMPANY (US) 2005-06-28 US disclosed
US-6900353-B2 Cyclopentyl sulfonamide derivatives ELI LILLY AND COMPANY (US) 2005-05-31 US disclosed
EP-1528055-A2 Sulphonamide Derivatives Eli Lilly & Company (US) 2005-05-04 EP disclosed
EP-1330233-B1 METHOD OF TREATING STROKE LILLY CO ELI (US) 2005-02-02 EP disclosed
EP-0980864-A2 Sulphonamide derivatives ELI LILLY AND COMPANY (US) 2000-02-23 EP disclosed
WO-2000006149-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
WO-2000006157-A1 SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
WO-2000006176-A1 AMIDOPHOSPHATE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
WO-2000006537-A1 N-SUBSTITUTED SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
WO-2000006156-A1 AMIDE, CARBAMATE, AND UREA DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
WO-2000006083-A2 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
EP-0976744-A1 Amide, carbamate, and urea derivatives having glutamate receptor function potentiating activity ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed
EP-0860428-A2 Sulphonamide derivatives ELI LILLY AND COMPANY (US) 1998-08-26 EP disclosed
WO-1998033496-A1 SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1998-08-06 WO 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-20060030599-A1 SULPHONAMIDE DERIVATIVES GRIN2C, GLRA2, GLRA1 LMNA 3909/4885GAA 3072/4885HDAC1 1292/4885

“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.