SCHEMBL2413571

SCHEMBL2413571

N#Cc1c(N)cccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ PDE7A Q13946 1/20 0.46
▸ TDP1 Q9NUW8 7/20 0.45
▸ CUL4A Q13619 1/20 0.45
▸ GPR35 Q9HC97 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ PLAU P00749 1/20 0.40
▸ S100A4 P26447 1/20 0.39
▸ VCAM1 P19320 1/20 0.39

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
SCHEMBL618153 0.86 TDP1 (0.54) SMN1; SMN2TDP1CUL4AGPR35ALDH1A1
SCHEMBL28059536 0.83 SMN1; SMN2 (0.47) SMN1; SMN2PDE7ATDP1GPR35ALDH1A1
SCHEMBL30694393 0.79 VCAM1 (0.47) SMN1; SMN2TDP1GPR35ALDH1A1HPGD
SCHEMBL220318 0.79 VCAM1 (0.47) SMN1; SMN2TDP1GPR35ALDH1A1HPGD
SCHEMBL2950121 0.78 VCAM1 (0.50) SMN1; SMN2TDP1GPR35ALDH1A1HPGD
SCHEMBL16959740 0.78 TDP1 (0.45) SMN1; SMN2TDP1CUL4AGPR35ALDH1A1
SCHEMBL700631 0.78 TSHR (0.58) SMN1; SMN2TDP1GPR35ALDH1A1HPGD
SCHEMBL2415689 0.78 TDP1 (0.45) SMN1; SMN2TDP1CUL4AGPR35ALDH1A1
SCHEMBL21957846 0.78 VCAM1 (0.50) SMN1; SMN2TDP1GPR35ALDH1A1HPGD
SCHEMBL1850626 0.78 ALDH1A1 (0.47) SMN1; SMN2TDP1CUL4AGPR35ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4073044-B1 NEW BRAF INHIBITORS AS PARADOX BREAKERS HOFFMANN LA ROCHE (CH) 2025-02-19 — — EP disclosed
CN-114746405-B Novel BRAF inhibitors as anomalous breakers 豪夫迈·罗氏有限公司 2024-03-26 — — CN disclosed
EP-4073044-A1 NEW BRAF INHIBITORS AS PARADOX BREAKERS F. Hoffmann-La Roche AG (CH) 2022-10-19 — — EP disclosed
US-20220298145-A1 BRAF INHIBITORS AS PARADOX BREAKERS HOFFMANN-LA ROCHE INC. (US) 2022-09-22 — — US disclosed
CN-114746405-A Novel BRAF inhibitors as paradoxical breakers 豪夫迈·罗氏有限公司 2022-07-12 — — CN disclosed
WO-2021116050-A1 NEW BRAF INHIBITORS AS PARADOX BREAKERS F. HOFFMANN-LA ROCHE AG (CH) 2021-06-17 — — WO disclosed
CN-107365319-B Modulation of chemosensory receptors and ligands associated therewith 弗门尼舍公司 2020-10-27 — — CN disclosed
CN-110115365-A The adjusting that actinism receptor and relative ligand are carried out 西诺米克斯公司 2019-08-13 — — CN disclosed
EP-2573559-B1 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC (US) 2019-03-13 — — EP disclosed
EP-2062050-B1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX INC (US) 2016-05-18 — — EP disclosed
EP-1708713-B1 1-BENZYL-5-PIPERAZIN-1-YL-3,4 DIHYDRO-1H-QUINAZOLIN-2-ONE DERIVATIVES AND THE RESPECTIVE 1H-BENZO(1,2,6)THIADIAZINE-2,2-DIOXIDE AND 1,4-DIHYDRO-BENZO(D)(1,3)OXAZIN-2-ONE DERIVATIVES AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR (5-HT) FOR THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM HOFFMANN LA ROCHE (CH) 2008-03-12 — — EP disclosed
WO-2004111052-A1 PYRROLOPYRIMIDINE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE (MDR) XENOVA LIMITED (GB) 2004-12-23 — — WO disclosed
EP-0382216-B1 Novel substituted acetamide compounds TOYO BOSEKI (JP) 1993-10-20 — — EP disclosed
US-5175172-A Administering amino-1,2,3,4-tetrahydroacridine and derivatives for elevation of T4 lymphocytes level in patients DIETLIN FRANCOIS (FR) 1992-12-29 — — US disclosed
US-5041462-A Novel substituted acetamide compounds and use as anti-allergic agents TOYO BOSEKI KABUSHIKI KAISHA (JP) 1991-08-20 — — US disclosed
EP-0382216-A1 Novel substituted acetamide compounds Toyo Boseki Kabushiki Kaisha (JP) 1990-08-16 — — EP disclosed
US-4209528-A Antisecretory oxamic acid esters AMERICAN HOME PRODUCTS CORPORATION (US) 1980-06-24 — — US disclosed
US-4137325-A Antisecretory oxamic acid esters AMERICAN HOME PRODUCTS CORPORATION (US) 1979-01-30 — — US disclosed
US-4087606-A ANTIALLERGENS AMERICAN HOME PRODUCTS CORPORATION (US) 1978-05-02 — — US disclosed
US-4054591-A ANTIALLERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1977-10-18 — — 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 (1 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-20220298145-A1 BRAF INHIBITORS AS PARADOX BREAKERS BRAF, NRAS, RAF1 SMN1; SMN2 4202/4885PDE7A 2583/4885TDP1 967/4885

“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.

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