SCHEMBL4339462

SCHEMBL4339462

c1ccc(C(c2ccccc2)(c2ccccc2)c2ccncc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.50
KIF11 P52732 5/20 0.48
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
KCNN4 O15554 2/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 2/20 0.38
USP2 O75604 1/20 0.38
NPC1 O15118 1/20 0.38
ATAD2 Q6PL18 1/20 0.38
CYP19A1 P11511 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
SCHEMBL18806854 0.88 KIF11 (0.48) NOTUMKIF11TSHRALDH1A1MEN1
SCHEMBL230628 0.82 KCNN4 (0.53) TSHRALDH1A1KCNN4
SCHEMBL9052398 0.81 NOTUM (0.48) NOTUMKIF11TSHRALDH1A1SLC6A2
SCHEMBL5309862 0.81 CYP19A1 (0.50) NOTUMKIF11TSHRALDH1A1SLC6A2
Hydrochloric Acid SCHEMBL3572356 0.79 CYP19A1 (0.48) NOTUMKIF11TSHRALDH1A1SLC6A2
SCHEMBL26294659 0.79 ALDH1A1 (0.55) NOTUMKIF11TSHRALDH1A1SLC6A2
SCHEMBL9203743 0.79 NOTUM (0.46) NOTUMKIF11TSHRALDH1A1SLC6A2
SCHEMBL27751012 0.79 NOTUM (0.46) NOTUMKIF11TSHRALDH1A1SLC6A2
SCHEMBL8986568 0.79 CYP19A1 (0.61) NOTUMKIF11MEN1KMT2ACYP11B1
SCHEMBL9203753 0.79 KCNN4 (0.70) NOTUMKIF11TSHRALDH1A1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105860408-A Deoxidization resin composition and food plastic wrap 顶益(开曼岛)控股有限公司 2016-08-17 CN 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

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 NOTUM 4408/4885KIF11 2575/4885TSHR 240/4885

“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.