SCHEMBL1950873

SCHEMBL1950873

O=C(Cl)c1cccc(Br)c1I

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 1/20 0.42
PRNP P04156 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAOB P27338 1/20 0.35
MIF P14174 1/20 0.35
RAB9A P51151 2/20 0.34
HPGD P15428 1/20 0.34
FABP4 P15090 1/20 0.33

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
SCHEMBL4777715 0.84 ALDH1A1 (0.50) ALDH1A1ALOX15KMT2AMEN1NPC1
SCHEMBL3266996 0.81 PRNP (0.50) ALDH1A1ALOX15PRNPKMT2AMEN1
SCHEMBL21296300 0.79 METAP2 (0.50) ALDH1A1PRNPHPGD
SCHEMBL7983272 0.79 PRNP (0.49) ALDH1A1ALOX15PRNPKMT2AMEN1
SCHEMBL6420545 0.78 ALDH1A1 (0.45) ALDH1A1ALOX15PRNPKMT2AMEN1
SCHEMBL6367716 0.78 ALDH1A1 (0.45) ALDH1A1ALOX15KMT2AMEN1HPGD
SCHEMBL123057 0.78 ALDH1A1 (0.54) ALDH1A1ALOX15KMT2AMEN1NPC1
SCHEMBL7983270 0.78 ALDH1A1 (0.45) ALDH1A1PRNPKMT2AMEN1NPC1
SCHEMBL1552127 0.77 ALDH1A1 (0.43) ALDH1A1ALOX15PRNPKMT2AMEN1
SCHEMBL4921450 0.77 ALDH1A1 (0.46) ALDH1A1ALOX15PRNPKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265588-B1 INHIBITORS OF 11ß -HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS INC (US) 2013-06-26 EP disclosed
US-8383629-B2 Inhibitors of 11β-hydroxysteroid dehydrogenase type 1 VITAE PHARMACEUTICALS, INC. (US) 2013-02-26 US disclosed
US-8383629-B2 Inhibitors of 11β-hydroxysteroid dehydrogenase type 1 VITAE PHARMACEUTICALS, INC. (US) 2013-02-26 US disclosed
US-8383629-B2 Inhibitors of 11β-hydroxysteroid dehydrogenase type 1 VITAE PHARMACEUTICALS, INC. (US) 2013-02-26 US disclosed
US-20110136821-A1 Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase Type 1 VITAE PHARMACEUTICALS INC. 2011-06-09 US disclosed
US-20110136821-A1 Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase Type 1 VITAE PHARMACEUTICALS INC. 2011-06-09 US disclosed
US-20110136821-A1 Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase Type 1 VITAE PHARMACEUTICALS INC. 2011-06-09 US disclosed
EP-2265588-A1 INHIBITORS OF 11ß -HYDROXYSTEROID DEHYDROGENASE TYPE 1 Vitae Pharmaceuticals, Inc. (US) 2010-12-29 EP disclosed
WO-2009108332-A1 INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-09-03 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-20110136821-A1 Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase Type 1 HSD11B1, HSD17B1, HSD3B1 ALDH1A1 48/4885ALOX15 578/4885PRNP 2892/4885

“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.