SCHEMBL15823722

SCHEMBL15823722

Brc1cccc(C23CCCCCC2O3)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
SLC6A2 P23975 1/20 0.35
CHRNB4 P30926 1/20 0.35
SLC6A4 P31645 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CHRND Q07001 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GRIN1 Q05586 2/20 0.32
GRIN2A Q12879 2/20 0.32
CTSD P07339 1/20 0.32

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
SCHEMBL2220242 0.79 GRIN1 (0.43) SLC6A2SLC6A4SLC6A3GRIN1GRIN2A
SCHEMBL7108497 0.79 GRIN1 (0.43) SLC6A2SLC6A4SLC6A3GRIN1GRIN2A
SCHEMBL6848854 0.77 SLC6A4 (0.52) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL6851950 0.77 SLC6A4 (0.52) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL6848853 0.77 SLC6A4 (0.52) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL6848857 0.77 SLC6A4 (0.52) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL6851956 0.77 SLC6A4 (0.52) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL2109495 0.76 CHRNA1 (0.35) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL11362972 0.75 SLC6A3 (0.43) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL38663972 0.74 SLC6A3 (0.47) SLC6A2SLC6A4SLC6A3CYP2C9CYP2C19

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
US-20150307460-A1 Substituted Triazoles and Imidazoles and Their Use as Fungicides BASF SE (DE) 2015-10-29 US disclosed
US-20150307460-A1 Substituted Triazoles and Imidazoles and Their Use as Fungicides BASF SE (DE) 2015-10-29 US disclosed
US-20150307460-A1 Substituted Triazoles and Imidazoles and Their Use as Fungicides BASF SE (DE) 2015-10-29 US disclosed
EP-2935224-A1 NEW SUBSTITUTED TRIAZOLES AND IMIDAZOLES AND THEIR USE AS FUNGICIDES BASF SE (DE) 2015-10-28 EP disclosed
WO-2014095547-A1 NEW SUBSTITUTED TRIAZOLES AND IMIDAZOLES AND THEIR USE AS FUNGICIDES BASF SE (DE) 2014-06-26 WO disclosed
WO-2014095547-A1 NEW SUBSTITUTED TRIAZOLES AND IMIDAZOLES AND THEIR USE AS FUNGICIDES BASF SE (DE) 2014-06-26 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-20150307460-A1 Substituted Triazoles and Imidazoles and Their Use as Fungicides TH, CYP51A1, NOS3 CHRNA1 3277/4885CHRNG 3909/4885CHRNB1 3517/4885

“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.