SCHEMBL4322796

SCHEMBL4322796

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.68
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.44
ELANE P08246 2/20 0.43
ALDH1A1 P00352 5/20 0.40
HTT P42858 2/20 0.40
ALOX15 P16050 1/20 0.40
ATM Q13315 1/20 0.40
NOTUM Q6P988 1/20 0.39
MAPT P10636 4/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
MC4R P32245 1/20 0.39
OPRK1 P41145 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GPR35 Q9HC97 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
MGLL Q99685 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
SCHEMBL29238932 0.85 NAPRT (0.61) NAPRTPOLBSMN1; SMN2ALDH1A1NOTUM
SCHEMBL5052007 0.85 NAPRT (0.72) NAPRTPOLBSMN1; SMN2ELANEALDH1A1
SCHEMBL4334502 0.83 NAPRT (0.56) NAPRTPOLBSMN1; SMN2ALDH1A1HTT
SCHEMBL23907015 0.82 NAPRT (0.64) NAPRTPOLBSMN1; SMN2ALDH1A1NOTUM
SCHEMBL4332546 0.82 NAPRT (0.69) NAPRTSMN1; SMN2ALDH1A1NOTUMMAPT
SCHEMBL4849110 0.81 NAPRT (0.68) NAPRTSMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL3531406 0.81 NAPRT (0.68) NAPRTPOLBHTTNOTUMKMT2A
SCHEMBL11049152 0.81 NAPRT (0.68) NAPRTPOLBSMN1; SMN2ALDH1A1ALOX15
SCHEMBL11005335 0.81 NAPRT (0.68) NAPRTPOLBALDH1A1HTTMAPT
Antipyrine SCHEMBL20452 0.81 NAPRT (1.00) NAPRTPOLBSMN1; SMN2ALDH1A1ALOX15

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
EP-3892734-B1 SCREENING METHODS AND THERAPEUTIC APPLICATIONS BASED ON BACTERIAL MOTILITY INHIBITION UNIV MUENCHEN LUDWIG MAXIMILIANS (DE) 2024-08-28 EP disclosed
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
EP-3892734-A1 SCREENING METHODS AND THERAPEUTIC APPLICATIONS BASED ON BACTERIAL MOTILITY INHIBITION Ludwig-Maximilians-Universität München (DE) 2021-10-13 EP disclosed
EP-3892734-A1 SCREENING METHODS AND THERAPEUTIC APPLICATIONS BASED ON BACTERIAL MOTILITY INHIBITION Ludwig-Maximilians-Universität München (DE) 2021-10-13 EP 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
EP-2102169-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS AstraZeneca AB (SE) 2009-09-23 EP 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
WO-2008076048-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-06-26 WO 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-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

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-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders GRIN1, GRM1, GRIN3A NAPRT 2063/4885POLB 4059/4885SMN1; SMN2 1220/4885

“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.