SCHEMBL16079246

SCHEMBL16079246

N=C(Cl)c1cc(Br)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.41
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX15 P16050 3/20 0.36
HPGD P15428 2/20 0.36
CES2 O00748 2/20 0.36
GALR3 O60755 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CASP1 P29466 1/20 0.36
CYP2C19 P33261 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 3/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 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
SCHEMBL13234349 0.83 DGAT1 (0.55) DGAT1ALDH1A1KMT2ALMNANPC1
SCHEMBL181200 0.79 ALDH1A1 (0.52) DGAT1ALDH1A1KMT2ALMNANPC1
SCHEMBL12273203 0.79 DGAT1 (0.41) DGAT1ALDH1A1KMT2ALMNANPC1
SCHEMBL29401981 0.79 ALDH1A1 (0.52) DGAT1ALDH1A1KMT2ALMNANPC1
SCHEMBL16079251 0.79 DGAT1 (0.50) DGAT1ALDH1A1KMT2ALMNANPC1
SCHEMBL20560643 0.79 DGAT1 (0.41) DGAT1ALDH1A1KMT2ALMNANPC1
SCHEMBL2132503 0.78 DGAT1 (0.40) DGAT1ALDH1A1KMT2ALMNANPC1
SCHEMBL16011576 0.76 DGAT1 (0.39) DGAT1ALDH1A1KMT2ALMNANPC1
SCHEMBL30667925 0.76 DGAT1 (0.39) DGAT1ALDH1A1KMT2ALMNANPC1
SCHEMBL10006618 0.76 DGAT1 (0.39) DGAT1ALDH1A1KMT2ALMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9611261-B2 Perfluorinated cyclopropyl fused 1,3-oxazin-2-amine compounds as beta-secretase inhibitors and methods of use AMGEN INC. (US) 2017-04-04 US disclosed
US-20160280695-A1 PERFLUORINATED CYCLOPROPYL FUSED 1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2016-09-29 US disclosed
US-20150252011-A1 PERFLUORINATED CYCLOPROPYL FUSED 1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC (US) 2015-09-10 US disclosed
US-9085576-B2 Perfluorinated cyclopropyl fused 1,3-oxazin-2-amine compounds as beta-secretase inhibitors and methods of use AMGEN INC. (US) 2015-07-21 US disclosed
US-20140275058-A1 PERFLUORINATED CYCLOPROPYL FUSED 1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. 2014-09-18 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 (3 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-20160280695-A1 PERFLUORINATED CYCLOPROPYL FUSED 1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE BACE1, BACE2, APP DGAT1 1594/4885ALDH1A1 317/4885KMT2A 3015/4885
US-20140275058-A1 PERFLUORINATED CYCLOPROPYL FUSED 1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE BACE1, BACE2, APP DGAT1 1594/4885ALDH1A1 317/4885KMT2A 3015/4885
US-20150252011-A1 PERFLUORINATED CYCLOPROPYL FUSED 1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE BACE1, BACE2, APP DGAT1 1594/4885ALDH1A1 317/4885KMT2A 3015/4885

“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.