SCHEMBL4318546

SCHEMBL4318546

Cc1cc(=O)n(C2CCCCC2)n1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
POLB P06746 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 2/20 0.38
NAPRT Q6XQN6 1/20 0.38
NR1I2 O75469 1/20 0.38
KDM4B O94953 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
ADRA1A P35348 1/20 0.38
DOHH Q9BU89 1/20 0.38
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36

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
SCHEMBL4331843 0.98 NAPRT (0.39) ALDH1A1POLBKMT2AMEN1MAPT
SCHEMBL4322764 0.79 TSHR (0.38) ALDH1A1POLBKMT2AMEN1MAPT
SCHEMBL4332440 0.75 TSHR (0.35) ALDH1A1KMT2AMAPTTSHRNR1I2
SCHEMBL11840108 0.73 JAK2 (0.47) ALDH1A1POLBKMT2AMEN1MAPT
SCHEMBL4752960 0.72 NAPRT (0.53) ALDH1A1KMT2AMEN1MAPTNAPRT
SCHEMBL11724195 0.68 ALDH1A1 (0.44) ALDH1A1POLBKMT2AMEN1MAPT
SCHEMBL4334419 0.67 SMURF1 (0.43) ALDH1A1KMT2AMEN1MAPTPARP1
SCHEMBL4323167 0.67 SMURF1 (0.41) PARP1PARP2MAPK1
SCHEMBL17035412 0.67 SMURF1 (0.41) PARP1PARP2PARP3
SCHEMBL4324232 0.67 SMURF1 (0.43) PARP1PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4268626-A Dry image forming material ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1981-05-19 US claimed
US-20230301970-A1 CARBOXAMIDE DERIVATIVES NOVARTIS PHARMACEUTICALS UK LIMITED (GB) 2023-09-28 US disclosed
US-20230301970-A1 CARBOXAMIDE DERIVATIVES NOVARTIS PHARMACEUTICALS UK LIMITED (GB) 2023-09-28 US disclosed
US-20230301970-A1 CARBOXAMIDE DERIVATIVES NOVARTIS PHARMACEUTICALS UK LIMITED (GB) 2023-09-28 US disclosed
US-11672782-B2 Carboxamide derivatives NOVARTIS AG (CH) 2023-06-13 US disclosed
US-11672782-B2 Carboxamide derivatives NOVARTIS AG (CH) 2023-06-13 US disclosed
US-11672782-B2 Carboxamide derivatives NOVARTIS AG (CH) 2023-06-13 US disclosed
EP-3143018-B1 CARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2021-03-10 EP disclosed
US-20210052554-A1 CARBOXAMIDE DERIVATIVES NOVARTIS PHARMACEUTICALS UK LIMITED (GB) 2021-02-25 US disclosed
US-20210052554-A1 CARBOXAMIDE DERIVATIVES NOVARTIS PHARMACEUTICALS UK LIMITED (GB) 2021-02-25 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-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
US-6187774-B1 N-PIPERAZINYLALKYLINDAZOLE DERIVATIVES; PSYCHOLOGICAL DISORDERS, SCHIZOPHRENIA; SIDE EFFECT REDUCTION YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2001-02-13 US disclosed
US-4442202-A SILVER HALIDE, REDOX SYSTEM, ORGANOBROMINE COMPOUND, STORAGE STABILITY ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1984-04-10 US disclosed
US-4396712-A ORGANIC SILVER SALT OXIDIZER, REDUCING AGENT, SILVER HALIDE OR SILVER HALIDE FORMER, TONER, BINDER, HYDROXYPHENYLBENZOTRIAZOLE ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1983-08-02 US disclosed
US-4332889-A IMPROVED SENSITIVITY, STORAGE STABILITY ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1982-06-01 US disclosed
US-4268626-A Dry image forming material ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1981-05-19 US disclosed
US-4115096-A Dihydropyrazolone herbicide FMC CORPORATION (US) 1978-09-19 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 (4 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-20210052554-A1 CARBOXAMIDE DERIVATIVES SIRT5, SIRT7, ADCY5 ALDH1A1 350/4885POLB 3845/4885KMT2A 683/4885
US-20230301970-A1 CARBOXAMIDE DERIVATIVES SIRT1, ADCY5, ASIC1 ALDH1A1 183/4885POLB 4028/4885KMT2A 733/4885
US-11672782-B2 Carboxamide derivatives SIRT5, SIRT7, ADCY5 ALDH1A1 350/4885POLB 3845/4885KMT2A 683/4885
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders GRIN1, GRM1, GRIN3A ALDH1A1 1785/4885POLB 4059/4885KMT2A 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.