SCHEMBL337812

SCHEMBL337812

Cc1ccc(F)cc1.OBO

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.77
NFE2L2 Q16236 1/20 0.56
TDP1 Q9NUW8 2/20 0.47
KMT2A Q03164 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 3/20 0.42
GAA P10253 2/20 0.42
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
PAX8 Q06710 1/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39

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
Methyl Alcohol SCHEMBL27638432 0.88 ACHE (0.87) ACHENFE2L2TDP1KMT2ASMN1; SMN2
SCHEMBL7025938 0.87
SCHEMBL12689 0.87
Iodide SCHEMBL27537208 0.84
Fluoride SCHEMBL28844251 0.84
Hydrochloric Acid SCHEMBL29353267 0.84
SCHEMBL28221304 0.84
Fluoride SCHEMBL27494802 0.84 ACHE (0.93) ACHENFE2L2TDP1KMT2ASMN1; SMN2
Ammonia Solution, Strong SCHEMBL359474 0.84
Hydrochloric Acid SCHEMBL27607289 0.84 ACHE (0.93) ACHENFE2L2TDP1KMT2ASMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097618-B2 Pyridine derivatives and their use in the treatment of psychotic disorders GLAXOSMITHKLINE LLC (US) 2012-01-17 US disclosed
US-20110190276-A1 Pyridine Derivatives And Their Use In The Treatment Of Psychotic Disorders KaNDy Therapeutics Limited (GB) 2011-08-04 US disclosed
EP-2336136-A1 Pyridine derivatives and their use in the treatment of psychotic disorders GlaxoSmithKline LLC (US) 2011-06-22 EP disclosed
US-7919491-B2 Pyridine derivatives and their use in the treatment of psychotic disorders GLAXOSMITHKLINE LLC (US) 2011-04-05 US disclosed
US-20100152175-A1 Pyridine Derivatives and Their Use in The Treatment of Psychotic Disorders GLAXOSMITHKLINE LLC (US) 2010-06-17 US disclosed
US-7683056-B2 Pyridine derivatives and their use in the treatment of psychotic disorders GLAXOSMITHKLINE LLC (US) 2010-03-23 US disclosed
US-20080269208-A1 Pyridine Derivatives and Their Use in the Treatment of Psychotic Disorders KaNDy Therapeutics Limited (GB) 2008-10-30 US disclosed
EP-1928886-A1 PYRIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS SmithKline Beecham Corporation (US) 2008-06-11 EP disclosed
WO-2007028654-A1 PYRIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 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 (3 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-20110190276-A1 Pyridine Derivatives And Their Use In The Treatment Of Psychotic Disorders NDUFB7, NDUFB6, GABRE ACHE 767/4885NFE2L2 495/4885TDP1 2136/4885
US-20080269208-A1 Pyridine Derivatives and Their Use in the Treatment of Psychotic Disorders SLC6A3, NDUFS5, NDUFB6 ACHE 760/4885NFE2L2 1794/4885TDP1 2095/4885
US-20100152175-A1 Pyridine Derivatives and Their Use in The Treatment of Psychotic Disorders CHRNA7, NR3C2, CHRNA6 ACHE 3202/4885NFE2L2 1167/4885TDP1 4277/4885

“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.