SCHEMBL3756416

SCHEMBL3756416

[C-]#[N+]Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.52
PNMT P11086 2/20 0.48
TAAR1 Q96RJ0 1/20 0.48
SIGMAR1 Q99720 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
IGF1R P08069 1/20 0.41
ALOX15 P16050 1/20 0.41
FDPS P14324 1/20 0.39
TSHR P16473 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 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
SCHEMBL29955728 0.81 CYP3A4 (0.42) IDO1PNMTSLC6A4ALDH1A1MAPT
SCHEMBL12170292 0.81 HSD17B10 (0.45) POLBIGF1RALOX15TSHRSLC6A2
SCHEMBL29952853 0.81 PIK3CA (0.41) IDO1PNMTTAAR1TSHRSLC6A4
SCHEMBL29954817 0.77 IDO1 (0.56) IDO1SLC6A4LMNA
SCHEMBL12170298 0.77 KMT2A (0.51) SMN1; SMN2POLBMEN1ALDH1A1MAPT
SCHEMBL12170290 0.77 CA2 (0.41) SIGMAR1POLBMEN1ALDH1A1MAPT
SCHEMBL6111131 0.73 IDO1 (0.58) IDO1PNMTTAAR1SIGMAR1SMN1; SMN2
SCHEMBL3298586 0.72 IDO1 (0.64) IDO1PNMTTAAR1SIGMAR1SMN1; SMN2
SCHEMBL11219362 0.71 PNMT (0.64) IDO1PNMTTAAR1SIGMAR1IGF1R
SCHEMBL29953051 0.71 PNMT (0.54) IDO1PNMTTAAR1SIGMAR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230345823-A1 N-TYPE SEMICONDUCTOR, AND ORGANIC PHOTOELECTRIC DEVICE, IMAGE SENSOR, AND ELECTRONIC DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-10-26 US disclosed
US-11737359-B2 N-type semiconductor, and organic photoelectric device, image sensor, and electronic device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-08-22 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US disclosed
WO-2009145718-A1 ISOINDOLINE DERIVATIVES COMPRISING AN ADDITIONAL HETEROCYCLIC GROUP AND THEIR USE IN THE TREATMENT OF PAIN DISORDERS ASTRAZENECA AB (SE) 2009-12-03 WO disclosed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP disclosed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO disclosed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US disclosed
EP-1631296-B1 2,3,4,5-TETRAHYDROBENZO¬F|¬1,4|OXAZEPINE-5-CARBOXYLIC ACID AMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE HOFFMANN LA ROCHE (CH) 2007-04-25 EP disclosed
US-7060698-B2 Benzoxazepinone derivatives HOFFMANN-LA ROCHE INC. (US) 2006-06-13 US disclosed
EP-1631296-A1 2,3,4,5-TETRAHYDROBENZO[F][1,4]OXAZEPINE-5-CARBOXYLIC ACID AMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2006-03-08 EP disclosed
WO-2004100958-A1 2, 3, 4, 5-TETRAHYDROBENZO[F][1, 4]OXAZEPINE-5-CARBOXYLIC ACID AMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER’S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 WO disclosed
US-20040235819-A1 5-alkylaminocarbonyl-substituted, e.g., 4-(1-benzyl-piperidin-4-yl)-2-isopropyl-3-oxo-2,3,4,5-tetrahydro-benzo[f][1,4]oxazepine-5-carboxylic acid tert-butylamide; gamma -secretase inhibitors for the treatment of Alzheimer's disease. HOFFMANN-LA ROCHE INC. 2004-11-25 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 (5 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-20230345823-A1 N-TYPE SEMICONDUCTOR, AND ORGANIC PHOTOELECTRIC DEVICE, IMAGE SENSOR, AND ELECTRONIC DEVICE INCLUDING THE SAME NCS1, SCN1A, SCN1B IDO1 1534/4885PNMT 193/4885TAAR1 2628/4885
US-11737359-B2 N-type semiconductor, and organic photoelectric device, image sensor, and electronic device including the same NCS1, SCN1A, SCN1B IDO1 1534/4885PNMT 193/4885TAAR1 2628/4885
US-20040235819-A1 5-alkylaminocarbonyl-substituted, e.g., 4-(1-benzyl-piperidin-4-yl)-2-isopropyl-3-oxo-2,3,4,5-tetrahydro-benzo[f][1,4]oxazepine-5-carboxylic acid tert-butylamide; gamma -secretase inhibitors for the treatment of Alzheimer's disease. BACE1, BACE2, PSEN1 IDO1 3562/4885PNMT 3095/4885TAAR1 1165/4885
US-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 IDO1 1997/4885PNMT 1003/4885TAAR1 739/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 IDO1 689/4885PNMT 950/4885TAAR1 848/4885

“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.