SCHEMBL960995

SCHEMBL960995

O=[N+]([O-])c1cc(CBr)ccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
HIF1A Q16665 1/20 0.56
VCAM1 P19320 1/20 0.53
LMNA P02545 7/20 0.46
RECQL P46063 1/20 0.46
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HTT P42858 4/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MITF O75030 1/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CA1 P00915 1/20 0.42
MMP2 P08253 1/20 0.42
CA14 Q9ULX7 1/20 0.42
POLB P06746 1/20 0.42
ABL1 P00519 2/20 0.40

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
SCHEMBL29494110 1.00 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1LMNARECQL
SCHEMBL27475557 0.86 ALDH1A1 (0.53) ALDH1A1HIF1AVCAM1LMNARECQL
SCHEMBL76729 0.85 TDP1 (0.58) ALDH1A1HIF1AVCAM1LMNARECQL
SCHEMBL29490181 0.85 TDP1 (0.58) ALDH1A1HIF1AVCAM1LMNARECQL
SCHEMBL14880650 0.85 ALDH1A1 (0.60) ALDH1A1HIF1AVCAM1LMNARECQL
SCHEMBL3120356 0.83 ALDH1A1 (0.58) ALDH1A1HIF1AVCAM1LMNARECQL
SCHEMBL1117240 0.82 TSHR (0.50) ALDH1A1LMNAATMTDP1HTT
SCHEMBL6356240 0.82 SMN1; SMN2 (0.49) ALDH1A1HIF1AVCAM1LMNARECQL
SCHEMBL4124874 0.81 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1LMNARECQL
SCHEMBL7615803 0.81 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1LMNARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4746968-A1 PYRROLIDINE COMPOUNDS LP(A) LOWERING ACTIVITY Eli Lilly and Company (US) 2026-05-27 EP disclosed
WO-2026106403-A1 NOVEL NRF2 ACTIVATOR AND USE THEREOF 나손사이언스(주) 2026-05-21 WO disclosed
CN-116496219-B Six-membered and five-membered heterocyclic compound, and pharmaceutical composition and application thereof 东南大学 2026-05-15 CN disclosed
US-20250326764-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS LLC (US) 2025-10-23 US disclosed
US-12312359-B2 Inhibitors of the menin-MLL interaction VITAE PHARMACEUTICALS, LLC (US) 2025-05-27 US disclosed
WO-2025024216-A1 PYRROLIDINE COMPOUNDS Lp(a) LOWERING ACTIVITY ELI LILLY AND COMPANY (US) 2025-01-30 WO disclosed
US-20240360082-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2024-10-31 US disclosed
EP-4373809-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS Novartis AG (CH) 2024-05-29 EP disclosed
CN-117980292-A Substituted pyridone compounds for the treatment of orthomyxoviral infections 诺华股份有限公司 2024-05-03 CN disclosed
WO-2024017358-A1 MACROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 贝达药业股份有限公司 2024-01-25 WO disclosed
EP-1663988-A1 BENZYL-BENZIMIDAZOLYL DERIVATIVES MERCK PATENT GmbH (DE) 2006-06-07 EP disclosed
US-20060019965-A1 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2006-01-26 US disclosed
WO-2006009734-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-01-26 WO disclosed
WO-2005028448-A1 BENZYL-BENZIMIDAZOLYL DERIVATIVES MERCK PATENT GMBH (DE) 2005-03-31 WO disclosed
EP-0889034-B1 AMINOPYRIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-09-17 EP disclosed
US-6057349-A ALPHA.SUB.1A/1L AGONISTS USED IN THE TREATMENT OF VARIOUS DISEASE STATES SUCH AS URINARY INCONTINENCE, NASAL CONGESTION, PRIAPISM, DEPRESSION, ANXIETY, DEMENTIA, SENILITY, ALZHEIMER'S, DEFICIENCIES IN ATTENTIVENESS AND COGNITION, AND F. HOFFMAN LA ROCHE AG (CH) 2000-05-02 US disclosed
US-6011039-A USEFUL AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; TREATING HYPERPHAGIA, OBESITY OR DIABETES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-01-04 US disclosed
US-5952362-A INHIBITOR OF GLYCOGEN PHOSPHORYLASE ENZYMETIC ACTIVITY AND GLUCOSE ACITIVITY SYNTEX (U.S.A) INC. (US) 1999-09-14 US disclosed
EP-0889034-A1 AMINOPYRIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-01-07 EP disclosed
EP-0887346-A2 Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists F. HOFFMANN-LA ROCHE AG (CH) 1998-12-30 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 (4 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-20060019965-A1 Gonadotropin releasing hormone receptor antagonists GNRHR, GHRHR, LHCGR ALDH1A1 4733/4885HIF1A 1694/4885VCAM1 4763/4885
US-12312359-B2 Inhibitors of the menin-MLL interaction MLLT1, MEN1, MLLT3 ALDH1A1 4369/4885HIF1A 3615/4885VCAM1 1695/4885
US-20250326764-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 ALDH1A1 4369/4885HIF1A 3615/4885VCAM1 1695/4885
US-20240360082-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS PNPO, PDXK, PLPBP ALDH1A1 2393/4885HIF1A 4410/4885VCAM1 3398/4885

“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.