SCHEMBL689001

SCHEMBL689001

N#Cc1cccc(OCCCO)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.52
ALDH1A1 P00352 1/20 0.46
RECQL P46063 1/20 0.46
HRH1 P35367 1/20 0.44
CCR3 P51677 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PRSS1 P07477 3/20 0.44
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
PRSS2 P07478 1/20 0.44
C1S P09871 1/20 0.44
PRSS3 P35030 1/20 0.44
GSK3B P49841 1/20 0.42

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
SCHEMBL688911 0.91 ALDH1A1 (0.57) TBXAS1ALDH1A1RECQLHRH1CCR3
SCHEMBL7388461 0.87 TBXAS1 (0.56) TBXAS1HRH1CCR3PRSS1
SCHEMBL29940613 0.85 TBXAS1 (0.49) TBXAS1ALDH1A1RECQLSMN1; SMN2
SCHEMBL688706 0.84 TBXAS1 (0.54) TBXAS1HRH1CCR3SMN1; SMN2PRSS1
SCHEMBL3105876 0.84 TBXAS1 (0.54) TBXAS1HRH1CCR3SMN1; SMN2
SCHEMBL6467063 0.83 TBXAS1 (0.52) TBXAS1HRH1CCR3SMN1; SMN2PRSS1
SCHEMBL690259 0.83 TBXAS1 (0.52) TBXAS1HRH1CCR3PRSS1
SCHEMBL10051067 0.83 TBXAS1 (0.52) TBXAS1HRH1CCR3SMN1; SMN2PRSS1
SCHEMBL1070542 0.83 CYP11B1 (0.55) TBXAS1ALDH1A1HRH1CCR3
SCHEMBL3903556 0.83 TBXAS1 (0.52) TBXAS1HRH1CCR3PRSS1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 EP disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
EP-1953148-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-08-06 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-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF MMP2, MMP9, MMP1 TBXAS1 383/4885ALDH1A1 423/4885RECQL 4359/4885

“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.