SCHEMBL15729329

SCHEMBL15729329

CC(C)(C)[Si](C)(C)Oc1c(F)cc(F)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
APLNR P35414 2/20 0.33
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.31
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA9 Q16790 2/20 0.30
TTR P02766 1/20 0.30
AGTR1 P30556 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL23190502 0.89 ALOX5AP (0.38) ALOX5APFEN1APLNRMAPTCA12
SCHEMBL5981001 0.79 MAPT (0.42) ALOX5APFEN1APLNRMAPTCA12
SCHEMBL18393234 0.77 ERN1 (0.42) ALOX5APFEN1APLNRCA12CA1
SCHEMBL15912814 0.75 ALOX5AP (0.38) ALOX5APFEN1APLNRCA12CA1
SCHEMBL856524 0.74 AAK1 (0.37) ALOX5APFEN1APLNRCA12CA1
SCHEMBL4355782 0.72 CA2 (0.46) HTTMAPTCA1
SCHEMBL30407976 0.72 CA2 (0.46) HTTMAPTCA1
SCHEMBL8454482 0.72 APLNR (0.39) ALOX5APFEN1APLNRMAPTCA12
SCHEMBL28422272 0.71 CA12 (0.46) ALOX5APFEN1APLNRCA12CA1
SCHEMBL7757991 0.71 ALOX5AP (0.35) ALOX5APFEN1APLNRCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2921480-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-10-11 EP disclosed
EP-2921480-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-10-11 EP disclosed
US-9777005-B2 Bicyclic heterocyclic compound containing a substituted pyrrole ring TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
US-9777005-B2 Bicyclic heterocyclic compound containing a substituted pyrrole ring TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
US-9777005-B2 Bicyclic heterocyclic compound containing a substituted pyrrole ring TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
US-9732086-B2 2017-08-15 US disclosed
US-9732086-B2 2017-08-15 US disclosed
US-9732086-B2 2017-08-15 US disclosed
US-20150307497-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-29 US disclosed
US-20150307497-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-29 US disclosed
US-20150307497-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-29 US disclosed
EP-2921480-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-09-23 EP disclosed
EP-2921480-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-09-23 EP disclosed
WO-2014077401-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2014-05-22 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-20150307497-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM2, CHRM4 ALOX5AP 1545/4885FEN1 4756/4885APLNR 1172/4885

“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.