SCHEMBL3977607

SCHEMBL3977607

CC(C)(C)[Si](C)(C)OCc1c(-c2ccccc2)coc1C(=O)NN

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.37
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
BACE1 P56817 1/20 0.36
MAPT P10636 4/20 0.35
GAA P10253 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TLR9 Q9NR96 1/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3975619 0.87 NPC1 (0.37) TACR1NPC1POLBBACE1MAPT
SCHEMBL3977272 0.81 TACR1 (0.43) TACR1POLBBACE1MAPTGAA
SCHEMBL3982069 0.79 MEN1 (0.41) NPC1POLBMAPTGAAKDM4E
SCHEMBL3985267 0.75 MGLL (0.44) NPC1POLBMAPTGAALMNA
SCHEMBL3977739 0.71 GAA (0.43) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL4279549 0.71 TACR1 (0.41) TACR1NPC1POLBBACE1MAPT
SCHEMBL3977656 0.71 TACR1 (0.41) TACR1POLBBACE1MAPTGAA
SCHEMBL3977800 0.69 KDM4E (0.50) POLBGAAKDM4EMEN1KMT2A
SCHEMBL3977605 0.69 MAPT (0.33) NPC1POLBMAPTGAAKDM4E
SCHEMBL4282784 0.68 CDC7 (0.45) GAAKDM4EMEN1KMT2ATLR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12012584-B2 Cell culture plate, devices and methods for in vitro exposure PHILIP MORRIS PRODUCTS S.A. (CH) 2024-06-18 US disclosed
US-20200339938-A1 CELL CULTURE PLATE, DEVICES AND METHODS FOR IN VITRO EXPOSURE PHILIP MORRIS PRODUCTS S.A. (CH) 2020-10-29 US disclosed
EP-3728547-A1 IMPROVED CELL CULTURE DEVICE Philip Morris Products S.a.s. (CH) 2020-10-28 EP disclosed
US-20200318048-A1 IMPROVED CELL CULTURE DEVICE PHILIP MORRIS PRODUCTS S.A. (CH) 2020-10-08 US disclosed
CN-105247053-B Tobacco specific nitrosamine reduction in plants 菲利普莫里斯产品有限公司 2020-07-31 CN disclosed
EP-3676365-A1 CELL CULTURE PLATE, DEVICES AND METHODS FOR IN VITRO EXPOSURE Philip Morris Products S.a.s. (CH) 2020-07-08 EP disclosed
US-10563215-B2 Tobacco specific nitrosamine reduction in plants PHILIP MORRIS PRODUCTS S.A. (CH) 2020-02-18 US disclosed
US-10415050-B2 Reduction of nicotine to nornicotine conversion in plants PHILIP MORRIS PRODUCTS S.A. (CH) 2019-09-17 US disclosed
WO-2019043130-A1 CELL CULTURE PLATE, DEVICES AND METHODS FOR IN VITRO EXPOSURE PHILIP MORRIS PRODUCTS S.A. (CH) 2019-03-07 WO disclosed
US-20170145431-A1 MODULATION OF NITRATE CONTENT IN PLANTS PHILIP MORRIS PRODUCTS S.A. (CH) 2017-05-25 US disclosed
WO-2015197727-A9 MODULATION OF BIOMASS IN PLANTS BY ECTOPIC EXPRESSION OF A CHLORIDE CHANNEL PHILIP MORRIS PRODUCTS S.A (CH) 2016-05-12 WO disclosed
WO-2015197727-A2 MODULATION OF NITRATE CONTENT IN PLANTS PHILIP MORRIS PRODUCTS S.A (CH) 2015-12-30 WO disclosed
WO-2015169927-A1 REDUCTION OF NICOTINE TO NORNICOTINE CONVERSION IN PLANTS PHILIP MORRIS PRODUCTS S.A. (CH) 2015-11-12 WO disclosed
US-20150315603-A1 TOBACCO SPECIFIC NITROSAMINE REDUCTION IN PLANTS PHILIP MORRIS PRODUCTS S.A. (CH) 2015-11-05 US disclosed
EP-2935588-A2 TOBACCO SPECIFIC NITROSAMINE REDUCTION IN PLANTS Philip Morris Products S.a.s. (CH) 2015-10-28 EP disclosed
WO-2014096283-A2 TOBACCO SPECIFIC NITROSAMINE REDUCTION IN PLANTS PHILIP MORRIS PRODUCTS S.A (CH) 2014-06-26 WO disclosed
US-7514452-B2 2-furancarboxylic acid hydrazides and pharmaceutical compositions containing the same DAINIPPON PHARMACEUTICAL CO., LTD (JP) 2009-04-07 US disclosed
US-20050171196-A1 2-Furancarboxylic acid hydrazides and pharmaceutical compositions containing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-04 US disclosed
US-20050043515-A1 Tobacco-specific nitrosamine detection assays and reagents SWEDISH MATCH NORTH AMERICA, INC. 2005-02-24 US disclosed
EP-1489077-A1 2-FURANCARBOXYLIC ACID HYDRAZIDES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-12-22 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 (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-20050171196-A1 2-Furancarboxylic acid hydrazides and pharmaceutical compositions containing the same GLP1R, GCGR, GPR119 TACR1 485/4885NPC1 1584/4885POLB 4676/4885

“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.