SCHEMBL3840189

SCHEMBL3840189

Nc1ncc(F)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.41
ATM Q13315 1/20 0.41
PDE7A Q13946 1/20 0.41
ALOX15 P16050 3/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TYMS P04818 1/20 0.38
ALDH1A1 P00352 5/20 0.37
MAPT P10636 3/20 0.37
CYP3A4 P08684 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37
INPPL1 O15357 1/20 0.37
DHFR P00374 1/20 0.37
HPGD P15428 1/20 0.36
HIF1A Q16665 1/20 0.36
IDO1 P14902 1/20 0.36

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
SCHEMBL11632286 0.80 INPPL1 (0.35) TDP1PDE7AALOX15MAPK1HSD17B10
SCHEMBL9367583 0.80 TDP1 (0.48) TDP1ALOX15MAPK1HSD17B10L3MBTL1
SCHEMBL30612243 0.80 TDP1 (0.44) TDP1ATMPDE7AMAPK1L3MBTL1
SCHEMBL21596680 0.80 TDP1 (0.44) TDP1ATMPDE7AMAPK1L3MBTL1
SCHEMBL30467812 0.80 TDP1 (0.48) TDP1ALOX15MAPK1HSD17B10L3MBTL1
SCHEMBL1582196 0.80 MAP4K4 (0.49) TDP1ATMPDE7AALDH1A1MAPT
SCHEMBL30122384 0.78 TDP1 (0.52) TDP1ALOX15MAPK1ALDH1A1MAPT
SCHEMBL10069071 0.78 TDP1 (0.42) TDP1ATMPDE7AMAPK1L3MBTL1
SCHEMBL986221 0.78 TDP1 (0.52) TDP1ALOX15MAPK1ALDH1A1MAPT
SCHEMBL203312 0.78 INPPL1 (0.46) TDP1PDE7AALOX15MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116706237-B Quick ion conductor additive, mixed electrolyte, sodium ion battery and vehicle 浙江华宇钠电新能源科技有限公司 2023-12-15 CN claimed
US-20250388571-A1 AMP-ACTIVATED PROTEIN KINASE MODULATOR COMPOUNDS AND USES THEREOF BIOLEXIS THERAPEUTICS INC (US) 2025-12-25 US disclosed
US-20240158385-A1 NOVEL COMPOUNDS Cerevance, Inc. 2024-05-16 US disclosed
CN-116706237-B Quick ion conductor additive, mixed electrolyte, sodium ion battery and vehicle 浙江华宇钠电新能源科技有限公司 2023-12-15 CN disclosed
EP-4288433-A1 NOVEL COMPOUNDS Cerevance, Inc. (US) 2023-12-13 EP disclosed
CN-116981665-A Novel compounds 思瑞万斯公司 2023-10-31 CN disclosed
CN-116706237-A Quick ion conductor additive, mixed electrolyte, sodium ion battery and vehicle 浙江华宇钠电新能源科技有限公司 2023-09-05 CN disclosed
WO-2023097187-A1 AMPK ACTIVATORS KALLYOPE, INC. (US) 2023-06-01 WO disclosed
WO-2022167819-A1 NOVEL COMPOUNDS Cerevance, Inc. (US) 2022-08-11 WO disclosed
US-10640488-B2 Antibacterial compounds AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2020-05-05 US disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 WO disclosed
CN-1100056-C Compound for inhibition of gastric acid secretion ASTRA AB (SE) 2003-01-29 CN disclosed
EP-0971920-B1 COMPOUNDS FOR INHIBITION OF GASTRIC ACID SECRETION ASTRAZENECA AB (SE) 2002-06-05 EP disclosed
US-6265415-B1 ANTIULCER AGENT ASTRAZENECA AB (SE) 2001-07-24 US disclosed
CN-1248257-A Compound for inhibition of gastric acid secretion ASTRA AB (SE) 2000-03-22 CN disclosed
EP-0971920-A1 COMPOUNDS FOR INHIBITION OF GASTRIC ACID SECRETION Astra Aktiebolag (SE) 2000-01-19 EP disclosed
WO-1998037080-A1 COMPOUNDS FOR INHIBITION OF GASTRIC ACID SECRETION ASTRA AKTIEBOLAG (SE) 1998-08-27 WO disclosed
US-4087432-A HERBICIDES ELI LILLY AND COMPANY (US) 1978-05-02 US disclosed
US-3968116-A HERBICIDE ELI LILLY AND COMPANY (US) 1976-07-06 US disclosed
US-3963734-A HERBICIDES, HERBICIDE INTERMEDIATES ELI LILLY AND COMPANY (US) 1976-06-15 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 (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-20240158385-A1 NOVEL COMPOUNDS KCNK3, KCNA4, KCNK13 TDP1 2297/4885ATM 3392/4885PDE7A 726/4885
US-20250388571-A1 AMP-ACTIVATED PROTEIN KINASE MODULATOR COMPOUNDS AND USES THEREOF PRKAB2, PRKAB1, PRKAR2B TDP1 2869/4885ATM 112/4885PDE7A 215/4885
US-10640488-B2 Antibacterial compounds MRPL21, CLPP, NRDC TDP1 4350/4885ATM 4441/4885PDE7A 4405/4885

“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.