SCHEMBL719535

SCHEMBL719535

Cc1nn(-c2ccccc2)cc1C=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.63
ALDH1A1 P00352 7/20 0.58
KMT2A Q03164 6/20 0.58
MEN1 O00255 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
POLB P06746 3/20 0.58
KDM4E B2RXH2 3/20 0.58
RAB9A P51151 2/20 0.58
THRB P10828 1/20 0.58
PKM P14618 1/20 0.58
RECQL P46063 1/20 0.58
MAPT P10636 2/20 0.56
MAPK1 P28482 1/20 0.56
NLRP3 Q96P20 1/20 0.55
HPGD P15428 3/20 0.55
NPSR1 Q6W5P4 1/20 0.52
P2RX7 Q99572 1/20 0.47
LMNA P02545 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47

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
Butylbenzyl SCHEMBL27901541 0.85 PTGS2 (0.48) PTGS2ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL718292 0.83 PTGS2 (0.45) PTGS2ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL28716311 0.83 PTGS2 (0.65) PTGS2ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL21271864 0.83 PTGS2 (0.45) PTGS2ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL718810 0.82 PKM (0.44) PTGS2ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL124501 0.81 POLB (0.48) PTGS2ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL718901 0.80 MEN1 (0.60) PTGS2ALDH1A1KMT2AMEN1POLB
SCHEMBL5807905 0.80 PTGS2 (0.65) PTGS2ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL718967 0.80 MEN1 (0.53) PTGS2ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL718415 0.79 PTGS2 (0.42) PTGS2ALDH1A1KMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4522606-A1 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMOVIRUS Merck Sharp & Dohme LLC (US) 2025-03-19 EP claimed
WO-2023220223-A1 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMOVIRUS MERCK SHARP & DOHME LLC (US) 2023-11-16 WO claimed
CN-112694478-A Nitro-substituted pyridazinone structure-containing spiropyrazole-pyrrolizine derivative and preparation method and application thereof 绍兴文理学院 2021-04-23 CN claimed
CN-112645957-A Pyridazinone structure-containing spiropyrazole-pyrrolizine derivative and preparation method and application thereof 绍兴文理学院 2021-04-13 CN claimed
CN-112625044-A Methylthio-substituted pyridazinone-structure-containing spiropyrazole-pyrrolizine derivative and preparation method and application thereof 绍兴文理学院 2021-04-09 CN claimed
CN-112625045-A 3,4, 5-trimethoxy substituted pyridazinone structure-containing spiropyrazole-pyrrolizine derivative and preparation method and application thereof 绍兴文理学院 2021-04-09 CN claimed
CN-112608319-A Methyl-substituted pyridazinone-structure-containing spiropyrazole-pyrrolizine derivative and preparation method and application thereof 绍兴文理学院 2021-04-06 CN claimed
CN-112608323-A Chlorine-substituted pyridazinone structure-containing spiropyrazole-pyrrolizine derivative and preparation method and application thereof 绍兴文理学院 2021-04-06 CN claimed
CN-112608322-A Methoxy-substituted pyridazinone-structure-containing spiropyrazole-pyrrolizine derivative and preparation method and application thereof 绍兴文理学院 2021-04-06 CN claimed
CN-112608321-A Fluorine-substituted pyridazinone structure-containing spiropyrazole-pyrrolizine derivative and preparation method and application thereof 绍兴文理学院 2021-04-06 CN claimed
US-12018004-B2 Carbamate compounds and methods of making and using same H. LUNDBECK A/S (DK) 2024-06-25 US disclosed
CN-112368279-B Novel compounds as mTOR inhibitors and uses thereof 医药生命融合研究团 2024-05-28 CN disclosed
US-20230312499-A1 CARBAMATE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2023-10-05 US disclosed
US-11649231-B2 Compound as mTOR inhibitor and use thereof MEDICINAL BIOCONVERGENCE RESEARCH CENTER (KR) 2023-05-16 US disclosed
US-11530189-B2 Carbamate compounds and methods of making and using same H. LUNDBECKA/S (DK) 2022-12-20 US disclosed
WO-2008141020-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2008-11-20 WO disclosed
WO-2008138876-A1 PYRAZOLE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2008-11-20 WO disclosed
US-20060241157-A1 Heterocyclic ppar modulators ELI LILLY AND COMPANY 2006-10-26 US disclosed
EP-1585733-A1 HETEROCYCLIC PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
WO-2004063166-A1 HETEROCYCLIC PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 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-11530189-B2 Carbamate compounds and methods of making and using same ABHD6, ABHD16A, RABL6 PTGS2 3527/4885ALDH1A1 2487/4885KMT2A 1102/4885
US-11649231-B2 Compound as mTOR inhibitor and use thereof MTOR, RICTOR, RPTOR PTGS2 2866/4885ALDH1A1 4021/4885KMT2A 2637/4885
US-20230312499-A1 CARBAMATE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, ABHD16A, RABL6 PTGS2 3527/4885ALDH1A1 2487/4885KMT2A 1102/4885
US-20060241157-A1 Heterocyclic ppar modulators PPARA, PPARG, PPARD PTGS2 1727/4885ALDH1A1 899/4885KMT2A 3482/4885
US-12018004-B2 Carbamate compounds and methods of making and using same ABHD6, ABHD16A, RABL6 PTGS2 3527/4885ALDH1A1 2487/4885KMT2A 1102/4885

“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.