SCHEMBL745595

SCHEMBL745595

O=[N+]([O-])c1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 1/20 0.50
PTGS2 P35354 1/20 0.50
LMNA P02545 1/20 0.50
MAOB P27338 2/20 0.49
AOC3 Q16853 1/20 0.49
KCNH2 Q12809 2/20 0.47
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
ENPP2 Q13822 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL2560961 0.92 ALDH1A1 (0.56) HSPB1PTGS2LMNAMAOBAOC3
SCHEMBL17562364 0.86 PTGS2 (0.51) HSPB1PTGS2LMNAMAOBAOC3
SCHEMBL2561971 0.86 LMNA (0.47) HSPB1PTGS2LMNAMAOBAOC3
SCHEMBL4743797 0.85 LMNA (0.53) HSPB1PTGS2LMNAMAOBAOC3
SCHEMBL31177588 0.83 PTGS2 (0.49) HSPB1PTGS2LMNAMAOBAOC3
SCHEMBL3885683 0.83 CFTR (0.54) HSPB1PTGS2LMNAMAOBAOC3
SCHEMBL3040542 0.83 LMNA (0.45) HSPB1PTGS2LMNAMAOBAOC3
SCHEMBL11303 0.82 KCNH2 (0.52) HSPB1PTGS2LMNAKCNH2MAPT
SCHEMBL2565063 0.81 PTGS2 (0.54) HSPB1PTGS2LMNAMAOBKCNH2
SCHEMBL9066838 0.81 PTGS2 (0.54) HSPB1PTGS2LMNAMAOBKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260078127-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 BOEHRINGER INGELHEIM INT (DE) 2026-03-19 US disclosed
US-12398146-B2 Heterobicyclic amides as inhibitors of CD38 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-08-26 US disclosed
US-20240368167-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-11-07 US disclosed
US-11987584-B2 Heterobicyclic amides as inhibitors of CD38 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-05-21 US disclosed
US-20230312586-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-05 US disclosed
US-11535621-B2 Heterobicyclic amides as inhibitors of CD38 RIBON THERAPEUTICS, INC. (US) 2022-12-27 US disclosed
EP-4003980-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 Ribon Therapeutics Inc. (US) 2022-06-01 EP disclosed
CN-114423753-A Heterobicyclic amides as CD38 inhibitors 里邦医疗公司 2022-04-29 CN disclosed
US-20210253594-A1 OXADIAZOLOPYRAZINES AND OXADIAZOLOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. 2021-08-19 US disclosed
US-20210253594-A1 OXADIAZOLOPYRAZINES AND OXADIAZOLOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. 2021-08-19 US disclosed
EP-0387315-A1 FLUORINATED ALKOXYL COMPOUNDS. MERCK PATENT GMBH (DE) 1990-09-19 EP disclosed
WO-1990001021-A1 FLUORINATED ALKOXYL COMPOUNDS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-02-08 WO disclosed
EP-0166287-B1 DIALKOXYRIDINES, PROCESS FOR THEIR PREPARATION, THEIR APPLICATION AND MEDICAMENTS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1989-08-23 EP disclosed
US-4758579-A e.g. pantoprazole or pantoprazole sodium BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1988-07-19 US disclosed
US-4686230-A Picoline derivative useful as gastric acid secretion inhibitors BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1987-08-11 US disclosed
EP-0201575-A1 NEW PICOLINE DERIVATIVES, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM. BYK GULDEN LOMBERG CHEM FAB (DE) 1986-11-20 EP disclosed
WO-1986002646-A1 NEW PICOLINE DERIVATIVES, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT M (DE) 1986-05-09 WO disclosed
EP-0166287-A1 Dialkoxyridines, process for their preparation, their application and medicaments containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1986-01-02 EP disclosed
US-4555518-A ANTIULCER AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1985-11-26 US disclosed
EP-0134400-A2 Fluoroalkoxysubstituted pyridylmethylthio-(or sulfinyl-)benzimidazoles having a secretolytic activity Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1985-03-20 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-20240368167-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 CD38, PARP12, ENTPD2 HSPB1 2245/4885PTGS2 2292/4885LMNA 1943/4885
US-20210253594-A1 OXADIAZOLOPYRAZINES AND OXADIAZOLOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS NDUFAF1, OXA1L, GLS2 HSPB1 2384/4885PTGS2 1397/4885LMNA 3286/4885
US-12398146-B2 Heterobicyclic amides as inhibitors of CD38 CD38, PARP12, ENTPD2 HSPB1 2245/4885PTGS2 2292/4885LMNA 1943/4885
US-20230312586-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 CD38, PARP12, ENTPD2 HSPB1 2245/4885PTGS2 2292/4885LMNA 1943/4885
US-20260078127-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 CD38, CD22, CD79B HSPB1 1808/4885PTGS2 4054/4885LMNA 2393/4885
US-11535621-B2 Heterobicyclic amides as inhibitors of CD38 CD38, PARP12, ENTPD2 HSPB1 2245/4885PTGS2 2292/4885LMNA 1943/4885
US-11987584-B2 Heterobicyclic amides as inhibitors of CD38 CD38, PARP12, ENTPD2 HSPB1 2245/4885PTGS2 2292/4885LMNA 1943/4885

“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.