SCHEMBL3531406

SCHEMBL3531406

Cc1cc(=O)n(-c2ccc(F)cc2)n1C

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.68
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NOTUM Q6P988 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
MGLL Q99685 1/20 0.38
FPR2 P25090 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
POLB P06746 3/20 0.35
GAA P10253 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL5052007 0.85 NAPRT (0.72) NAPRTMEN1KMT2AKDM4ENOTUM
SCHEMBL4322796 0.81 NAPRT (0.68) NAPRTMEN1KMT2ANOTUMGSK3A
SCHEMBL4849110 0.81 NAPRT (0.68) NAPRTMEN1KMT2AKDM4EL3MBTL1
SCHEMBL11005335 0.81 NAPRT (0.68) NAPRTMEN1KMT2AGSK3AGSK3B
Antipyrine SCHEMBL20452 0.81 NAPRT (1.00) NAPRTKMT2AKDM4EL3MBTL1GSK3A
SCHEMBL4334502 0.80 NAPRT (0.56) NAPRTMEN1KMT2AL3MBTL1HTT
Antipyrine SCHEMBL8736656 0.79 NAPRT (0.96) NAPRTKMT2AKDM4EL3MBTL1GSK3A
Antipyrine SCHEMBL8995343 0.79 NAPRT (0.96) NAPRTKMT2AKDM4EL3MBTL1GSK3A
Antipyrine SCHEMBL7020007 0.79 NAPRT (0.96) NAPRTKMT2AKDM4EL3MBTL1GSK3A
Antipyrine SCHEMBL18260589 0.79 NAPRT (0.96) NAPRTMEN1KMT2AKDM4EGSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118026938-B Pyrazolone ester compound and electrochemical synthesis method thereof 江西本草天工科技有限责任公司 2024-06-28 CN claimed
CN-118026938-A Pyrazolone ester compound and electrochemical synthesis method thereof 江西本草天工科技有限责任公司 2024-05-14 CN claimed
CN-118026938-B Pyrazolone ester compound and electrochemical synthesis method thereof 江西本草天工科技有限责任公司 2024-06-28 CN disclosed
CN-118026938-A Pyrazolone ester compound and electrochemical synthesis method thereof 江西本草天工科技有限责任公司 2024-05-14 CN disclosed
CN-110256407-B Pyrazolone-substituted-3-hydroxyoxindole-containing derivative and preparation method thereof 赣南师范大学 2020-08-25 CN disclosed
CN-110256407-A One kind -3- hydroxyl oxoindole derivative of substitution containing pyrazolone and preparation method 赣南师范大学 2019-09-20 CN disclosed
US-7652057-B2 Pyrazolones as 11b-HSD1 inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders ASTRAZENECA AB (SE) 2009-03-12 US disclosed
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders ASTRAZENECA AB (SE) 2009-03-12 US disclosed
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders ASTRAZENECA AB (SE) 2009-03-12 US disclosed
EP-1924562-A2 PYRAZOLONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
EP-1833800-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2007025880-A2 PYRAZOLONE DERIVATIVES AS 11-BETA HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
US-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 US disclosed
WO-2006071730-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ASTRAZENECA AB (SE) 2006-07-06 WO disclosed
WO-2006071730-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ASTRAZENECA AB (SE) 2006-07-06 WO disclosed
US-4436717-A FLUORINATION OF ANTIPYRINE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1984-03-13 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 (2 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-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes HSD11B1, HSD17B1, HSD17B7 NAPRT 2057/4885MEN1 1683/4885KMT2A 4086/4885
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders GRIN1, GRM1, GRIN3A NAPRT 2063/4885MEN1 3300/4885KMT2A 2407/4885

“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.