SCHEMBL10163553

SCHEMBL10163553

CCC(=O)C1=NOC(c2c(F)cccc2F)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
RIPK1 Q13546 2/20 0.34
MAPT P10636 4/20 0.33
GAA P10253 2/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 2/20 0.32
KIF11 P52732 1/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MIF P14174 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 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
SCHEMBL19525864 0.86 POLB (0.35) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL192955 0.86 POLB (0.35) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL564213 0.86 POLB (0.35) POLBMAPTGAANPC1RAB9A
SCHEMBL193085 0.84 POLB (0.38) POLBMAPTGAANPC1RAB9A
SCHEMBL19525865 0.84 POLB (0.38) POLBMAPTGAANPC1RAB9A
SCHEMBL192351 0.81 POLB (0.37) POLBRIPK1MAPTGAANPC1
SCHEMBL19525866 0.81 POLB (0.37) POLBRIPK1MAPTGAANPC1
SCHEMBL19270341 0.78 TSHR (0.50) RIPK1MAPTPPARGPPARATSHR
SCHEMBL2740662 0.72 TEAD1 (0.35) POLBMAPTGAAALDH1A1HPGD
SCHEMBL12305010 0.72 TEAD1 (0.35) POLBMAPTGAAALDH1A1HPGD

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
US-9062040-B2 Solid forms of an azocyclic amide E I DU PONT DE NEMOURS AND COMPANY (US) 2015-06-23 US disclosed
US-20140127322-A1 SOLID FORMS OF AN AZOCYCLIC AMIDE E I DU PONT DE NEMOURS AND COMPANY (US) 2014-05-08 US disclosed
US-8669277-B2 Solid forms of an azocyclic amide E I DU PONT DE NEMOURS AND COMPANY (US) 2014-03-11 US disclosed
US-20120034315-A1 SOLID FORMS OF AN AZOCYCLIC AMIDE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-02-09 US 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 (2 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-20140127322-A1 SOLID FORMS OF AN AZOCYCLIC AMIDE NOD1, NUAK1, DDT POLB 3860/4885RIPK1 682/4885MAPT 3032/4885
US-20120034315-A1 SOLID FORMS OF AN AZOCYCLIC AMIDE NOD1, NUAK1, DDT POLB 3860/4885RIPK1 682/4885MAPT 3032/4885

“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.