SCHEMBL969906

SCHEMBL969906

O=[N+]([O-])c1ccc(OC(F)(F)F)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MITF O75030 1/20 0.42
TXNRD1 Q16881 1/20 0.41
MAPT P10636 3/20 0.41
TP53 P04637 1/20 0.41
CASP3 P42574 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
GPR3 P46089 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HIF1A Q16665 1/20 0.41
PDE2A O00408 1/20 0.39
HSPB1 P04792 1/20 0.39
VCAM1 P19320 1/20 0.39
LMNA P02545 2/20 0.38

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
SCHEMBL30532293 1.00 ATM (0.55) ATMTDP1MEN1KMT2ASMN1; SMN2
SCHEMBL13581006 0.87 TDP1 (0.49) ATMTDP1MEN1KMT2ASMN1; SMN2
SCHEMBL31237064 0.86 ALDH1A1 (0.53) ATMTDP1MEN1KMT2ASMN1; SMN2
SCHEMBL1275648 0.86 ALDH1A1 (0.53) ATMTDP1MEN1KMT2ASMN1; SMN2
SCHEMBL9714508 0.85 TDP1 (0.50) ATMTDP1MEN1KMT2ASMN1; SMN2
SCHEMBL10591075 0.85 TDP1 (0.50) ATMTDP1MEN1KMT2AMAPT
SCHEMBL10591334 0.83 TDP1 (0.47) ATMTDP1MEN1KMT2ASMN1; SMN2
SCHEMBL10590180 0.83 TDP1 (0.47) ATMTDP1MEN1KMT2ASMN1; SMN2
SCHEMBL10590571 0.82 ATM (0.44) ATMTDP1MEN1KMT2ASMN1; SMN2
SCHEMBL17786752 0.82 ATM (0.62) ATMTDP1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3562306-B1 METALLOENZYME INHIBITOR COMPOUNDS JI XING PHARMACEUTICALS HONG KONG LTD (HK) 2025-02-26 EP disclosed
EP-4472739-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2024-12-11 EP disclosed
US-11919883-B2 Metalloenzyme inhibitor compounds JI XING PHARMACEUTICALS HONG KONG LIMITED (HK) 2024-03-05 US disclosed
CN-112955436-B 6-oxo-1, 6-dihydropyridazine derivatives, preparation method and application thereof in medicines 福建盛迪医药有限公司 2023-08-11 CN disclosed
WO-2023148129-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2023-08-10 WO disclosed
US-20220073471-A1 6-OXO-1,6-DIHYDROPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2022-03-10 US disclosed
US-20220009907-A1 METALLOENZYME INHIBITOR COMPOUNDS CORXEL PHARMACEUTICALS HONG KONG LIMITED (HK) 2022-01-13 US disclosed
US-11136309-B2 Metalloenzyme inhibitor compounds PHASEBIO PHARMACEUTICALS, INC. (US) 2021-10-05 US disclosed
CN-112955436-A 6-oxo-1, 6-dihydropyridazine derivatives, preparation method and application thereof in medicines 江苏恒瑞医药股份有限公司 2021-06-11 CN disclosed
US-20200392112-A1 METALLOENZYME INHIBITOR COMPOUNDS CORXEL PHARMACEUTICALS HONG KONG LIMITED (HK) 2020-12-17 US disclosed
US-7750158-B2 Cannabinoid receptor ligands SCHERING CORPORATION (US) 2010-07-06 US disclosed
EP-1768667-B1 CANNABINOID RECEPTOR LIGANDS SCHERING CORP (US) 2009-09-30 EP disclosed
WO-2009070584-A1 ARYL AND HETEROARYL FUSED IMIDAZO[1,5-A]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 WYETH (US) 2009-06-04 WO disclosed
US-20090143367-A1 ARYL AND HETEROARYL FUSED IMIDAZO[1,5-a]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 ELBION GMBH (DE) 2009-06-04 US disclosed
US-20090143367-A1 ARYL AND HETEROARYL FUSED IMIDAZO[1,5-a]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 ELBION GMBH (DE) 2009-06-04 US disclosed
CN-101005838-A Cannabinoid receptor ligands SCHERING CORP (US) 2007-07-25 CN disclosed
EP-1768667-A1 CANNABINOID RECEPTOR LIGANDS SCHERING CORPORATION (US) 2007-04-04 EP disclosed
US-20060100228-A1 Cannabinoid receptor ligands SCHERING CORPORATION 2006-05-11 US disclosed
WO-2006002133-A1 CANNABINOID RECEPTOR LIGANDS SCHERING CORPORATION (US) 2006-01-05 WO disclosed
EP-0315862-B1 Aromatically fluorinated fluoromethoxy- and fluoromethylthio-amino benzenes and their preparation BAYER AG (DE) 1994-04-13 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 (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-20060100228-A1 Cannabinoid receptor ligands CNR1, CNR2, TRPV1 ATM 3649/4885TDP1 4103/4885MEN1 3202/4885
US-20220073471-A1 6-OXO-1,6-DIHYDROPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF CACNA1D, CACNA1F, CACNA1B ATM 4293/4885TDP1 1474/4885MEN1 2422/4885
US-20200392112-A1 METALLOENZYME INHIBITOR COMPOUNDS SOD1, RNASE1, FECH ATM 3366/4885TDP1 1270/4885MEN1 720/4885
US-20220009907-A1 METALLOENZYME INHIBITOR COMPOUNDS SOD1, RNASE1, FECH ATM 3366/4885TDP1 1270/4885MEN1 720/4885
US-20090143367-A1 ARYL AND HETEROARYL FUSED IMIDAZO[1,5-a]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 PDE12, PDE5A, PDE10A ATM 3412/4885TDP1 39/4885MEN1 2827/4885
US-11136309-B2 Metalloenzyme inhibitor compounds SOD1, RNASE1, FECH ATM 3366/4885TDP1 1270/4885MEN1 720/4885
US-11919883-B2 Metalloenzyme inhibitor compounds SOD1, RNASE1, FECH ATM 3366/4885TDP1 1270/4885MEN1 720/4885

“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.