SCHEMBL5186044

SCHEMBL5186044

O=C(NCCc1cc[c]cc1)c1cccs1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.76
▸ RAB9A P51151 6/20 0.76
▸ SMN1; SMN2 Q16637 6/20 0.76
▸ MAPT P10636 2/20 0.70
▸ CYP1A2 P05177 1/20 0.63
▸ CYP2C9 P11712 1/20 0.63
▸ CYP2C19 P33261 1/20 0.63
▸ KDM4E B2RXH2 1/20 0.62
▸ HTT P42858 1/20 0.61
▸ ALDH1A1 P00352 2/20 0.56
▸ GAA P10253 1/20 0.54
▸ HSD17B10 Q99714 2/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ LMNA P02545 2/20 0.50
▸ TP53 P04637 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ CASP1 P29466 1/20 0.50
▸ CASP7 P55210 1/20 0.50
▸ POLB P06746 1/20 0.50

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
SCHEMBL11276433 0.86 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL4964688 0.84 NPC1 (0.78) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL711885 0.77 NPC1 (0.91) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL30031669 0.76 NPC1 (0.73) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL6127192 0.76 KDM4E (0.89) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL4578939 0.76 KDM4E (0.77) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL4578943 0.76 KDM4E (0.77) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL5185990 0.75 HDAC2 (0.64) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL8657462 0.74 KDM4E (0.74) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL1905615 0.74 KDM4E (0.74) NPC1RAB9ASMN1; SMN2MAPTCYP1A2

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 55 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
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-0860428-B1 Sulphonamide derivatives LILLY CO ELI (US) 2004-12-08 — — EP disclosed
WO-2000006157-A1 SULPHONAMIDE 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-2000006176-A1 AMIDOPHOSPHATE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 — — WO disclosed
WO-2000006149-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 — — WO disclosed
WO-2000006539-A1 ALKENYL SULPHONAMIDE 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 NPC1 2454/4885RAB9A 2770/4885SMN1; SMN2 1644/4885

“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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