SCHEMBL1266632

SCHEMBL1266632

O=C1CCC(NC(=O)C(F)(F)F)c2cc(F)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 2/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
RAB9A P51151 1/20 0.41
PGR P06401 1/20 0.36
PDE10A Q9Y233 2/20 0.36
TLR9 Q9NR96 1/20 0.36
TRPV1 Q8NER1 2/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35

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
SCHEMBL1266630 1.00 LMNA (0.53) LMNAGAAKDM4EALDH1A1HTT
SCHEMBL31278291 0.86 LMNA (0.69) LMNAGAAKDM4EALDH1A1HTT
SCHEMBL31277918 0.82 PDE10A (0.47) PGRPDE10ATRPV1HTR1ADRD2
SCHEMBL1265290 0.82 LMNA (0.47) LMNAGAAKDM4EALDH1A1HTT
SCHEMBL1265292 0.82 LMNA (0.47) LMNAGAAKDM4EALDH1A1HTT
SCHEMBL15006926 0.82 LMNA (0.47) LMNAGAAKDM4EALDH1A1HTT
SCHEMBL22868049 0.78 LMNA (0.46) LMNAGAAKDM4EALDH1A1HTT
SCHEMBL29741302 0.78 KDM4E (0.45) LMNAGAAKDM4EALDH1A1HTT
SCHEMBL1266380 0.77 TAS1R3 (0.51) ALDH1A1HTTPGRTRPV1
SCHEMBL1266382 0.77 TAS1R3 (0.51) ALDH1A1HTTPGRTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884109-B2 immunosuppressants such as 2-(6-Fluoro-1H-benzo[d]imidazol-1-yl)-9-((1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-8(9H)-one, used for the prevention and treatment of autoimmune diseases, inflammatory disease, mast cell mediated disease and transplant rejection WYETH LLC (US) 2011-02-08 US disclosed
WO-2009048474-A1 2,7,9-SUBSTITUTED PURINONE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2009-04-16 WO disclosed
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-11-20 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 (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-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION TPMT, P2RY4, P2RY1 LMNA 4808/4885GAA 2204/4885KDM4E 1491/4885

“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.