SCHEMBL4031932

SCHEMBL4031932

NC(=O)NCCc1cccs1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.69
NPC1 O15118 5/20 0.66
RAB9A P51151 5/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
TAAR1 Q96RJ0 3/20 0.59
LMNA P02545 1/20 0.55
HSD11B1 P28845 1/20 0.55
ADAM17 P78536 2/20 0.54
BRD4 O60885 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
ALDH1A1 P00352 2/20 0.50
ADRA2A P08913 2/20 0.50
ADRA2B P18089 2/20 0.50
ADRA2C P18825 2/20 0.50
MAPT P10636 1/20 0.50
CASP3 P42574 1/20 0.50
CASP7 P55210 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
SCHEMBL29145671 0.86 NPC1 (0.62) POLBNPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL2731878 0.84 NPC1 (0.68) POLBNPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL21493485 0.83 NPC1 (0.62) POLBNPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL10310223 0.82 NPC1 (0.57) POLBNPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL863136 0.82 NPC1 (0.66) POLBNPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL1259782 0.81 POLB (1.00) POLBNPC1RAB9ASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL29074376 0.81 NPC1 (0.55) POLBNPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL28872246 0.81 NPC1 (0.64) POLBNPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL25572999 0.79 NPC1 (0.62) POLBNPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL5251770 0.79 NPC1 (0.62) POLBNPC1RAB9ASMN1; SMN2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611109-A4 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO LTD (JP) 2009-06-24 EP claimed
JP-2006522109-A 2006-09-28 JP claimed
EP-1611109-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-01-04 EP claimed
WO-2004087680-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-10-14 WO claimed
US-20230159455-A1 DELIVERY OF THERAPEUTIC ALKALOID COMPOUNDS SENSORIUM THERAPEUTICS, INC. 2023-05-25 US disclosed
CN-101888840-A method of treating polycystic kidney disease using brain amide derivatives GENZYME CORP 2010-11-17 CN disclosed
EP-1183232-B1 MONOFLUOROALKYL DERIVATIVES LILLY CO ELI (US) 2007-10-03 EP disclosed
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US 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-0980864-A2 Sulphonamide derivatives ELI LILLY AND COMPANY (US) 2000-02-23 EP disclosed
WO-2000006537-A1 N-SUBSTITUTED SULFONAMIDE 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-2000006176-A1 AMIDOPHOSPHATE 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 POLB 4247/4885NPC1 2454/4885RAB9A 2770/4885
US-20230159455-A1 DELIVERY OF THERAPEUTIC ALKALOID COMPOUNDS PNMT, HNMT, NNMT POLB 2309/4885NPC1 296/4885RAB9A 571/4885
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 POLB 4518/4885NPC1 412/4885RAB9A 902/4885

“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.