SCHEMBL2517263

SCHEMBL2517263

CC(=O)NCc1ccc(Br)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ALDH1A1 P00352 6/20 0.49
MAPT P10636 4/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.47
PTPN1 P18031 1/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 3/20 0.44
LMNA P02545 3/20 0.44
HSP90AA1 P07900 1/20 0.43
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.41

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
SCHEMBL5724113 0.84 TSHR (0.72) TSHRHDAC1HDAC6ALDH1A1MAPT
SCHEMBL10925245 0.81 TSHR (0.54) TSHRHDAC1HDAC6ALDH1A1MAPT
SCHEMBL18255097 0.81 CA2 (0.57) TSHRALDH1A1MAPTPOLBRAB9A
SCHEMBL14220090 0.80 CNR2 (0.58) TSHRHDAC1HDAC6ALDH1A1MAPT
SCHEMBL508353 0.79 TSHR (0.56) TSHRHDAC1HDAC6SMN1; SMN2GAA
SCHEMBL30424512 0.78 TSHR (0.50) TSHRALDH1A1KMT2ASMN1; SMN2HPGD
SCHEMBL24456428 0.78 ALDH1A1 (0.54) HDAC1HDAC6ALDH1A1MAPTPOLB
SCHEMBL30336782 0.78 ALDH1A1 (0.58) TSHRHDAC1HDAC6ALDH1A1POLB
SCHEMBL23997386 0.78 ALDH1A1 (0.58) TSHRHDAC1HDAC6ALDH1A1POLB
SCHEMBL27741777 0.77 KMT2A (0.45) TSHRALDH1A1MAPTPOLBRAB9A

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-20110251173-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2011-10-13 US disclosed
US-20110251173-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2011-10-13 US disclosed
US-20110251173-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2011-10-13 US disclosed
WO-2011121350-A1 4 -AMINO -7,8- DIHYDROPYRIMIDO [5, 4 - F] [1, 4] OXAZEPIN- 5 ( 6H) - ONE BASED DGAT1 INHIBITORS ASTRAZENECA AB (SE) 2011-10-06 WO disclosed
WO-2011121350-A1 4 -AMINO -7,8- DIHYDROPYRIMIDO [5, 4 - F] [1, 4] OXAZEPIN- 5 ( 6H) - ONE BASED DGAT1 INHIBITORS ASTRAZENECA AB (SE) 2011-10-06 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-20110251173-A1 CHEMICAL COMPOUNDS DGAT1, DGAT2, SLC5A1 TSHR 1271/4885HDAC1 396/4885HDAC6 812/4885

“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.