SCHEMBL4616407

SCHEMBL4616407

CC#CC(C)(C)NC(=O)C(CC)Oc1cc(Br)cc(Br)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ADORA2A P29274 2/20 0.32
ADORA2B P29275 1/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 2/20 0.32
HSD17B10 Q99714 2/20 0.32
HTT P42858 1/20 0.32
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
POLB P06746 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL5159277 0.88 CYP1A2 (0.40) NPSR1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11528939 0.87 NPSR1 (0.38) L3MBTL1NPSR1ALDH1A1TSHRSMN1; SMN2
SCHEMBL4616219 0.85 PKM (0.35) L3MBTL1NPSR1ALDH1A1TSHRSMN1; SMN2
SCHEMBL5160782 0.82 PKM (0.36) NPSR1ALDH1A1TSHRSMN1; SMN2MEN1
SCHEMBL4951293 0.81 ALDH1A1 (0.31) NPSR1ALDH1A1
SCHEMBL6671259 0.80 CYP1A2 (0.35) SMN1; SMN2
SCHEMBL4614038 0.80 TSHR (0.35) L3MBTL1NPSR1ALDH1A1TSHRSMN1; SMN2
SCHEMBL4949107 0.79 ALDH1A1 (0.36) NPSR1ALDH1A1TSHRSMN1; SMN2MEN1
SCHEMBL11602647 0.79 OGG1 (0.45) L3MBTL1NPSR1ALDH1A1TSHRMEN1
SCHEMBL5160991 0.79 CYP1A2 (0.39) L3MBTL1NPSR1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567005-B1 FUNGICIDES SYNGENTA LTD (GB) 2008-02-20 EP disclosed
US-20060058397-A1 Fungicides SYNGENTA LIMITED (GB) 2006-03-16 US disclosed
EP-1567005-A1 FUNGICIDES Syngenta Limited (GB) 2005-08-31 EP disclosed
WO-2004047537-A1 FUNGICIDES SYNGENTA LIMITED (GB) 2004-06-10 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-20060058397-A1 Fungicides CYP4X1, CYP1A1, CYP4Z1 L3MBTL1 316/4885NPSR1 3771/4885ALDH1A1 890/4885

“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.