SCHEMBL2201596

SCHEMBL2201596

Cc1ccc(C(C[AsH2])CP(O)O)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.33
CHRNA7 P36544 1/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 2/20 0.32
STAT3 P40763 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
POLB P06746 1/20 0.31
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
ALOX5 P09917 1/20 0.30

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
SCHEMBL342251 0.81 GABBR2 (0.36) ACHEMAPTLMNASMN1; SMN2
SCHEMBL205612 0.72 CHRNA7 (0.42) ACHECHRNA7ALDH1A1STAT3TDP1
SCHEMBL16979038 0.67 ESR1 (0.44) ACHECHRNA7MAPTALDH1A1STAT3
SCHEMBL13628958 0.65 CHRNA7 (0.37) ACHECHRNA7ALDH1A1STAT3TDP1
SCHEMBL1101003 0.65 ALDH1A1 (0.45) ACHECHRNA7MAPTALDH1A1TDP1
SCHEMBL3989199 0.65 ADRA2A (0.48) ACHECHRNA7MAPTALDH1A1TDP1
SCHEMBL14183097 0.64 CHRNA7 (0.39) ACHECHRNA7ALDH1A1STAT3TDP1
P-Xylene SCHEMBL9064050 0.64 CHRNA7 (0.39) ACHECHRNA7ALDH1A1STAT3TDP1
SCHEMBL8609874 0.63 CHRNA7 (0.42) ACHECHRNA7MAPTALDH1A1STAT3
SCHEMBL3667006 0.63 CYP1A2 (0.42) ACHECHRNA7MAPTTDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2343073-A2 Combination of a sedative and a neurotransmitter modulator, and methods for improving sleep quality and treating depression Sepracor Inc. (US) 2011-07-13 EP disclosed
EP-1696959-A2 MELATONIN COMBINATION THERAPY FOR IMPROVING SLEEP QUALITY Sepracor, Inc. (US) 2006-09-06 EP disclosed
US-20050215521-A1 Modafinil combination therapy for improving sleep quality SEPRACOR INC. 2005-09-29 US disclosed
WO-2005063297-A2 MELATONIN COMBINATION THERAPY FOR IMPROVING SLEEP QUALITY SEPRACOR INC. (US) 2005-07-14 WO disclosed
WO-2005063248-A1 MODAFINIL COMBINATION THERAPY FOR IMPROVING SLEEP QUALITY SEPRACOR INC. (US) 2005-07-14 WO disclosed
US-20030162754-A1 Use of GABA and GABAB agonists TUFTS UNIVERSITY 2003-08-28 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 (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-20050215521-A1 Modafinil combination therapy for improving sleep quality HCRTR2, HCRTR1, MTNR1A ACHE 1151/4885CHRNA7 157/4885MAPT 2175/4885

“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.