SCHEMBL8258256

SCHEMBL8258256

NCc1ccc(F)c(OC(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.41
LOXL2 Q9Y4K0 2/20 0.39
KCNH2 Q12809 2/20 0.39
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
GRIN2B Q13224 10/20 0.36
GRIN1 Q05586 9/20 0.36
RXRA P19793 5/20 0.36

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
Hydrochloric Acid SCHEMBL30580207 0.98 CSNK2A1 (0.42) CSNK2A1LOXL2KCNH2CYP4F2CYP4A11
Hydrochloric Acid SCHEMBL25370524 0.98 CSNK2A1 (0.42) CSNK2A1LOXL2KCNH2CYP4F2CYP4A11
SCHEMBL13593481 0.86 CSNK2A1 (0.39) CSNK2A1LOXL2CYP4F2CYP4A11
SCHEMBL2440368 0.85 CSNK2A1 (0.45) CSNK2A1LOXL2
SCHEMBL7909260 0.85 CSNK2A1 (0.47) CSNK2A1LOXL2
Hydrochloric Acid SCHEMBL2282287 0.83 CSNK2A1 (0.49) CSNK2A1LOXL2
SCHEMBL22981790 0.81 KCNH2 (0.39) KCNH2CYP4F2CYP4A11GRIN2BGRIN1
SCHEMBL8171104 0.81 KCNH2 (0.41) KCNH2CYP4F2CYP4A11GRIN2BGRIN1
SCHEMBL22981677 0.81 CYP4F2 (0.56) KCNH2CYP4F2CYP4A11GRIN2BGRIN1
SCHEMBL8226028 0.81 KCNH2 (0.39) KCNH2CYP4F2CYP4A11GRIN2BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors NOLTE BERT 2008-07-24 US disclosed
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors NOLTE BERT 2008-07-24 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
WO-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 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 (4 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-20080176870-A1 Heterobicyclic metalloprotease inhibitors ADAM17, ADAM8, ADAM10 CSNK2A1 3624/4885LOXL2 969/4885KCNH2 4495/4885
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 CSNK2A1 4586/4885LOXL2 1949/4885KCNH2 4492/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 CSNK2A1 4586/4885LOXL2 1949/4885KCNH2 4492/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 CSNK2A1 4586/4885LOXL2 1949/4885KCNH2 4492/4885

“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.