SCHEMBL2338512

SCHEMBL2338512

FC(F)(F)c1ccnc(C2CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.50
NOS2 P35228 1/20 0.50
MAPK1 P28482 1/20 0.46
ADRB1 P08588 1/20 0.42
CYP17A1 P05093 1/20 0.41
MAP3K12 Q12852 14/20 0.41
HDAC4 P56524 1/20 0.38
HTR2C P28335 1/20 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
SCHEMBL28284245 0.93 NOS3 (0.47) NOS3NOS2MAPK1ADRB1MAP3K12
SCHEMBL28282678 0.91 NOS3 (0.46) NOS3NOS2MAPK1ADRB1MAP3K12
SCHEMBL7074219 0.88 MAPK1 (0.58) NOS3NOS2MAPK1ADRB1MAP3K12
Hydrochloric Acid SCHEMBL31061313 0.87 MAPK1 (0.57) MAPK1ADRB1MAP3K12HTR2C
SCHEMBL21037498 0.85 MAP3K12 (0.55) MAPK1ADRB1MAP3K12
SCHEMBL3782541 0.84 CHRNB2 (0.51) NOS3NOS2MAPK1ADRB1MAP3K12
SCHEMBL31061341 0.84 CHRNB2 (0.51) NOS3NOS2MAPK1ADRB1MAP3K12
SCHEMBL29992046 0.82 NOS3 (0.44) NOS3NOS2MAPK1ADRB1CYP17A1
SCHEMBL29992609 0.82 NOS3 (0.49) NOS3NOS2MAPK1ADRB1MAP3K12
SCHEMBL29992344 0.82 NOS3 (0.44) NOS3NOS2MAPK1ADRB1CYP17A1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109476600-A Pyrithione, pharmaceutical compositions thereof and therapeutic use thereof for treating proliferative, inflammatory, neurodegenerative or immune-mediated diseases 拜欧赛里克斯公司 2019-03-15 CN claimed
US-12365692-B2 6-hydroxy-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide derivatives for inducing chondrogenesis for treating joint damage NOVARTIS AG (CH) 2025-07-22 US disclosed
US-12257243-B2 5-hydroxy-7-oxabicyclo[2.2.1]heptane-2-carboxamide derivatives for inducing chondrogenesis for treating joint damage NOVARTIS AG (CH) 2025-03-25 US disclosed
US-20220071972-A1 5-HYDROXY-7-OXABICYCLO[2.2.1]HEPTANE-2-CARBOXAMIDE DERIVATIVES FOR INDUCING CHONDROGENESIS FOR TREATING JOINT DAMAGE NOVARTIS AG (CH) 2022-03-10 US disclosed
US-20220033412-A1 6-HYDROXY-8-OXATRICYCLO[3.2.1.02,4]OCTANE-2-CARBOXAMIDE DERIVATIVES FOR INDUCING CHONDROGENESIS FOR TREATING JOINT DAMAGE NOVARTIS AG (CH) 2022-02-03 US disclosed
CN-109476600-A Pyrithione, pharmaceutical compositions thereof and therapeutic use thereof for treating proliferative, inflammatory, neurodegenerative or immune-mediated diseases 拜欧赛里克斯公司 2019-03-15 CN disclosed
US-8318776-B2 Pyridine compound, pesticidal composition and method of controlling pests SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-27 US disclosed
US-8318776-B2 Pyridine compound, pesticidal composition and method of controlling pests SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-27 US disclosed
US-8318776-B2 Pyridine compound, pesticidal composition and method of controlling pests SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-27 US disclosed
EP-2215086-B1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST SUMITOMO CHEMICAL CO (JP) 2011-08-24 EP disclosed
US-20100286148-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-11 US disclosed
US-20100286148-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-11 US disclosed
US-20100286148-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-11 US disclosed
EP-2215086-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST Sumitomo Chemical Company, Limited (JP) 2010-08-11 EP disclosed
WO-2009066786-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-28 WO 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 (5 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-20220033412-A1 6-HYDROXY-8-OXATRICYCLO[3.2.1.02,4]OCTANE-2-CARBOXAMIDE DERIVATIVES FOR INDUCING CHONDROGENESIS FOR TREATING JOINT DAMAGE COL2A1, COL1A1, HCAR1 NOS3 1843/4885NOS2 1516/4885MAPK1 817/4885
US-20220071972-A1 5-HYDROXY-7-OXABICYCLO[2.2.1]HEPTANE-2-CARBOXAMIDE DERIVATIVES FOR INDUCING CHONDROGENESIS FOR TREATING JOINT DAMAGE COL2A1, COL1A1, FGF1 NOS3 2591/4885NOS2 2545/4885MAPK1 906/4885
US-12257243-B2 5-hydroxy-7-oxabicyclo[2.2.1]heptane-2-carboxamide derivatives for inducing chondrogenesis for treating joint damage COL2A1, COL1A1, FGF1 NOS3 2452/4885NOS2 2401/4885MAPK1 956/4885
US-12365692-B2 6-hydroxy-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide derivatives for inducing chondrogenesis for treating joint damage COL2A1, COL1A1, HCAR1 NOS3 1843/4885NOS2 1516/4885MAPK1 817/4885
US-20100286148-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST C5, PRDX1, PLPBP NOS3 1904/4885NOS2 3201/4885MAPK1 1339/4885

“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.