SCHEMBL702196

SCHEMBL702196

CN(C)c1ccc2cc(C(=O)CBr)ccc2c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.62
GSK3B P49841 6/20 0.46
HPGD P15428 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 1/20 0.44
KDM2B Q8NHM5 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
TERT O14746 1/20 0.39
APP P05067 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL29403777 1.00 PTPN1 (0.62) PTPN1GSK3BHPGDALDH1A1MAPT
SCHEMBL158933 0.85 SMN1; SMN2 (0.47) PTPN1HPGDALDH1A1MAPTKDM2B
SCHEMBL29382443 0.85 SMN1; SMN2 (0.47) PTPN1HPGDALDH1A1MAPTKDM2B
SCHEMBL4224827 0.84 PTPN1 (0.58) PTPN1GSK3BHPGDALDH1A1MAPT
SCHEMBL11482012 0.84 PTPN1 (0.84) PTPN1GSK3BHPGDALDH1A1SMN1; SMN2
SCHEMBL24277990 0.83 HPGD (0.44) PTPN1HPGDALDH1A1MAPTKDM2B
SCHEMBL26735842 0.83 HPGD (0.44) PTPN1GSK3BHPGDALDH1A1MAPT
Propane SCHEMBL626692 0.83 SMN1; SMN2 (0.46) PTPN1HPGDALDH1A1MAPTKDM2B
SCHEMBL10001068 0.82 GSK3B (0.61) PTPN1GSK3BHPGDALDH1A1MAPT
SCHEMBL774179 0.82 GSK3B (0.61) PTPN1GSK3BHPGDALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240168032-A1 GLUCOSE BIOSENSORS AND USES THEREOF UNIV DUKE (US) 2024-05-23 US claimed
EP-3377897-B1 LACTATE BIOSENSORS AND USES THEREOF UNIV DUKE (US) 2024-05-01 EP claimed
US-11852637-B2 Bicarbonate biosensors, calcium biosensors, and uses thereof DUKE UNIVERSITY (US) 2023-12-26 US claimed
US-20230348884-A1 Fluorescent Biosensor for Rapid Determination of L-arginine THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2023-11-02 US claimed
US-20220244266-A1 GLUCOSE BIOSENSORS AND USES THEREOF UNIV DUKE (US) 2022-08-04 US claimed
US-11344223-B2 Method and an apparatus for measuring acetone concentrations in breath Solvax Systems Inc. 2022-05-31 US claimed
WO-2022063178-A1 FLUORESCENT BIOSENSOR FOR RAPID DETERMINATION OF L-ARGININE THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2022-03-31 WO claimed
US-20220079469-A1 METHOD AND AN APPARATUS FOR MEASURING ACETONE CONCENTRATIONS IN BREATH SOLVAX SYSTEMS INC. / 9717579 CANADA CORP. (CA) 2022-03-17 US claimed
US-11156615-B2 Glucose biosensors and uses thereof DUKE UNIVERSITY (US) 2021-10-26 US claimed
US-10961342-B2 Resin formulation and uses thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2021-03-30 US claimed
WO-2010146365-A1 BIOMETRIC MEMBRANES AND USES THEREOF AQUAPORIN A/S (DK) 2010-12-23 WO claimed
WO-2009124135-A2 ANNEXIN-BASED APOPTOSIS MARKERS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-10-08 WO claimed
US-20090246802-A1 ANNEXIN-BASED APOPTOSIS MARKERS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-10-01 US claimed
US-6693091-B2 CONTAINING PHOTOACTIVE, FLUORESCENT, OR RADIOACTIVE MOIETY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2004-02-17 US claimed
US-20030225052-A1 Analogs of terpene trilactones from Ginkgo biloba and related compounds and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2003-12-04 US claimed
US-20030194370-A1 Analogs of terpene trilactones from ginkgo biloba for bioorganic and imaging studies THE TRUSTEES OF COLUMBIA UNIVERSITY 2003-10-16 US claimed
WO-2003082185-A2 ANALOGS OF TERPENE TRILACTONES FROM GINKGO BILOBA AND RELATED COMPOUNDS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2003-10-09 WO claimed
EP-1335984-A1 DETERMINATION OF HYDROPHOBIC COENZYME A ESTERS AND OTHER LIPIDS USING A BIOSENSOR COMPRISING A MODIFIED COENZYME A- AND ACYL-COA BINDING PROTEIN (ACBP) Biosensor APS (DK) 2003-08-20 EP claimed
US-20020142347-A1 Biosensor BIOSENSOR APS (DK) 2002-10-03 US claimed
WO-2002061096-A1 DETERMINATION OF HYDROPHOBIC COENZYME A ESTERS AND OTHER LIPIDS USING A BIOSENS OR COMPRISING A MODIFIED COENZYME A- AND ACYL- BINDING PROTEIN (ACBP) BIOSENSOR APS (DK) 2002-08-08 WO claimed

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

For each of this compound's patents that has machine-readable text (6 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-20030225052-A1 Analogs of terpene trilactones from Ginkgo biloba and related compounds and uses thereof GPBAR1, GRK5, CNR1 PTPN1 4654/4885GSK3B 1529/4885HPGD 1782/4885
US-20240168032-A1 GLUCOSE BIOSENSORS AND USES THEREOF GCK, GCKR, SLC2A4 PTPN1 777/4885GSK3B 651/4885HPGD 1074/4885
US-20220244266-A1 GLUCOSE BIOSENSORS AND USES THEREOF GCK, GCKR, SLC2A4 PTPN1 777/4885GSK3B 651/4885HPGD 1074/4885
US-20030194370-A1 Analogs of terpene trilactones from ginkgo biloba for bioorganic and imaging studies GRK4, GRK1, GNB1 PTPN1 4777/4885GSK3B 369/4885HPGD 872/4885
US-11156615-B2 Glucose biosensors and uses thereof GCK, GCKR, SLC2A4 PTPN1 777/4885GSK3B 651/4885HPGD 1074/4885
US-11852637-B2 Bicarbonate biosensors, calcium biosensors, and uses thereof CA2, CASR, CACYBP PTPN1 3838/4885GSK3B 2911/4885HPGD 2032/4885

“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.