SCHEMBL17422848

SCHEMBL17422848

Brc1ccc2c(c1)cc(I)n2CCN1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
ALOX15 P16050 1/20 0.52
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 2/20 0.41
MPI P34949 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR7 P34969 1/20 0.40
HTT P42858 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
SCHEMBL17433483 0.87 HTR7 (0.46) MAPK1ALOX15LMNAMAPTTSHR
SCHEMBL17422793 0.86 HTR7 (0.54) MAPK1ALOX15ALDH1A1MAPTHTR7
SCHEMBL1855669 0.76 MAPK1 (0.51) MAPK1ALOX15ALDH1A1LMNAMAPT
SCHEMBL17422764 0.76 MCL1 (0.41) MAPTKMT2AHTT
SCHEMBL15837038 0.75 ALOX15 (0.54) MAPK1ALOX15ALDH1A1LMNAMAPT
SCHEMBL17422738 0.74 MAPK1 (0.44) MAPK1ALOX15ALDH1A1LMNAMAPT
SCHEMBL16416706 0.74 HTR7 (0.67) MAPK1ALOX15HTR7
SCHEMBL15441474 0.74 TRPV4 (0.48) MAPK1ALOX15ALDH1A1MAPTKMT2A
SCHEMBL19252189 0.72 MCL1 (0.39) MAPTKMT2A
SCHEMBL30641089 0.72 MAPK1 (0.49) MAPK1ALOX15ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2017-08-03 US disclosed
WO-2016004513-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2016-01-14 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-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS PDK1, PDK3, PDK2 MAPK1 256/4885ALOX15 3483/4885ALDH1A1 2424/4885

“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.