SCHEMBL2589285

SCHEMBL2589285

[CH2]CC[S+]([O-])c1ccc(F)cc1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
IDO1 P14902 1/20 0.30
LOXL2 Q9Y4K0 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
SCHEMBL7324610 0.78 PTPN1 (0.33) IDO1LOXL2
SCHEMBL245575 0.77 CYP3A4 (0.32)
SCHEMBL5637704 0.75
SCHEMBL5314838 0.74 CYP2A6 (0.36) MAOBLOXL2
SCHEMBL776830 0.73 ACHE (0.36) IDO1LOXL2
SCHEMBL11754395 0.72 LMNA (0.41)
SCHEMBL11431967 0.70 HDAC1 (0.49)
SCHEMBL9233400 0.70 ALDH1A3 (0.38)
SCHEMBL7329423 0.70
SCHEMBL776183 0.68 CA1 (0.38) IDO1LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231334-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT APHIDS SYNGENTA CROP PROTECTION LLC (US) 2013-09-05 US disclosed
EP-2563118-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT APHIDS Syngenta Participations AG (CH) 2013-03-06 EP disclosed
CN-102905525-A Methods of controlling neonicotinoid resistant aphids SYNGENTA PARTICIPATIONS AG 2013-01-30 CN disclosed
WO-2011134819-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT APHIDS SYNGENTA PARTICIPATIONS AG (CH) 2011-11-03 WO disclosed
US-5385914-A Cardiotonic carbostyril agents for treating heart ailments OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-01-31 US disclosed
EP-0355583-B1 Cardiotonics OTSUKA PHARMA CO LTD (JP) 1995-01-25 EP disclosed
US-5266577-A Method of treating congestive heart failure using carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY LTD. (JP) 1993-11-30 US disclosed
US-5198448-A Cardiovascular disorders OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1993-03-30 US disclosed
US-5053514-A Side effect reduction; carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1991-10-01 US disclosed
EP-0355583-A2 Cardiotonics OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-02-28 EP 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-20130231334-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT APHIDS DDT, AGO2, INF2 MAOA 4230/4885MAOB 3585/4885IDO1 1473/4885

“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.