SCHEMBL456768

SCHEMBL456768

Nc1nc(Cl)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
CYP3A4 P08684 1/20 0.44
DHFR P00374 1/20 0.43
MAPT P10636 4/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.41
PDE7A Q13946 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
VCAM1 P19320 1/20 0.40
GPR35 Q9HC97 1/20 0.38
PGK1 P00558 1/20 0.37

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
SCHEMBL29757749 0.82 TSHR (0.45) ALDH1A1CYP3A4MAPTTSHRTDP1
SCHEMBL56541 0.82 TSHR (0.45) ALDH1A1CYP3A4MAPTTSHRTDP1
SCHEMBL3790793 0.81 ALDH1A1 (0.39) ALDH1A1CYP3A4DHFRMAPTTSHR
SCHEMBL30987781 0.81 CYP3A4 (0.44) ALDH1A1CYP3A4DHFRMAPTTSHR
SCHEMBL30987771 0.81 ALDH1A1 (0.44) ALDH1A1CYP3A4DHFRMAPTTSHR
SCHEMBL23234456 0.81 ALDH1A1 (0.44) ALDH1A1CYP3A4DHFRMAPTTSHR
SCHEMBL13019612 0.81 ALDH1A1 (0.39) ALDH1A1CYP3A4DHFRMAPTTSHR
SCHEMBL2975188 0.81 CYP3A4 (0.44) ALDH1A1CYP3A4DHFRMAPTTSHR
SCHEMBL8483314 0.81 ALDH1A1 (0.42) ALDH1A1CYP3A4DHFRMAPTTSHR
SCHEMBL12477761 0.81 ALDH1A1 (0.43) ALDH1A1CYP3A4DHFRMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250388571-A1 AMP-ACTIVATED PROTEIN KINASE MODULATOR COMPOUNDS AND USES THEREOF BIOLEXIS THERAPEUTICS INC (US) 2025-12-25 US disclosed
EP-4638420-A1 COMPOUNDS THAT INHIBIT PKMYT1 Exelixis, Inc. (US) 2025-10-29 EP disclosed
WO-2024137671-A1 COMPOUNDS THAT INHIBIT PKMYT1 EXELIXIS, INC. (US) 2024-06-27 WO disclosed
US-20240101558-A1 AMPK ACTIVATORS KALLYOPE, INC. 2024-03-28 US disclosed
US-11851429-B2 AMPK activators KALLYOPE, INC. (US) 2023-12-26 US disclosed
US-11708376-B2 Substituted imidazo[4,5-b]pyridines, imidazo[4,5-b]pyrazines, and oxazolo[4,5- b]pyrazines as mitochondrial uncouplers VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2023-07-25 US disclosed
US-11708376-B2 Substituted imidazo[4,5-b]pyridines, imidazo[4,5-b]pyrazines, and oxazolo[4,5- b]pyrazines as mitochondrial uncouplers VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2023-07-25 US disclosed
US-11708376-B2 Substituted imidazo[4,5-b]pyridines, imidazo[4,5-b]pyrazines, and oxazolo[4,5- b]pyrazines as mitochondrial uncouplers VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2023-07-25 US disclosed
CN-116390925-A AMPK activator 卡尔优普公司 2023-07-04 CN disclosed
CN-116323608-A AMPK activator 卡尔优普公司 2023-06-23 CN disclosed
US-20130184240-A1 HETERO RING-FUSED IMIDAZOLE DERIVATIVE HAVING AMPK ACTIVATING EFFECT SHIONOGI & CO., LTD. (JP) 2013-07-18 US disclosed
EP-2614052-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS Bristol-Myers Squibb Company (US) 2013-07-17 EP disclosed
US-20130123237-A1 NOVEL CYCLIC AZABENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2013-05-16 US disclosed
US-8362004-B2 Piperazine analogs as broad-spectrum influenza antivirals BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-8362004-B2 Piperazine analogs as broad-spectrum influenza antivirals BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-20 US disclosed
US-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-20 US disclosed
WO-2012116145-A1 NOVEL CYCLIC AZABENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2012-08-30 WO disclosed
WO-2012033736-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 WO disclosed
US-4087432-A HERBICIDES ELI LILLY AND COMPANY (US) 1978-05-02 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 (7 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-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS ZC3HAV1, ZC3HAV1L, HCRTR1 ALDH1A1 728/4885CYP3A4 367/4885DHFR 2114/4885
US-20130184240-A1 HETERO RING-FUSED IMIDAZOLE DERIVATIVE HAVING AMPK ACTIVATING EFFECT PRKAA1, PRKAA2, PRKAG1 ALDH1A1 3389/4885CYP3A4 1763/4885DHFR 3649/4885
US-20250388571-A1 AMP-ACTIVATED PROTEIN KINASE MODULATOR COMPOUNDS AND USES THEREOF PRKAB2, PRKAB1, PRKAR2B ALDH1A1 4339/4885CYP3A4 3939/4885DHFR 4719/4885
US-11708376-B2 Substituted imidazo[4,5-b]pyridines, imidazo[4,5-b]pyrazines, and oxazolo[4,5- b]pyrazines as mitochondrial uncouplers NDUFAF1, NDUFAB1, GLS2 ALDH1A1 471/4885CYP3A4 612/4885DHFR 2375/4885
US-20130123237-A1 NOVEL CYCLIC AZABENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAB2, PRKAG1 ALDH1A1 2545/4885CYP3A4 3085/4885DHFR 1585/4885
US-11851429-B2 AMPK activators PRKAG1, PRKAG2, PRKAG3 ALDH1A1 2034/4885CYP3A4 4583/4885DHFR 3723/4885
US-20240101558-A1 AMPK ACTIVATORS PRKAG1, PRKAG2, PRKAG3 ALDH1A1 2034/4885CYP3A4 4583/4885DHFR 3723/4885

“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.