SCHEMBL5648596

SCHEMBL5648596

CC(C)(C)c1nc(-c2ccc(Br)cc2)no1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.54
RAB9A P51151 6/20 0.53
NPC1 O15118 5/20 0.53
AOC3 Q16853 2/20 0.50
HPGD P15428 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SIRT2 Q8IXJ6 3/20 0.47
TP53 P04637 3/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 1/20 0.44
NFKB1 P19838 1/20 0.43

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
SCHEMBL22530550 0.88 NR1H4 (0.53) NR1H4RAB9ANPC1HPGDNPSR1
SCHEMBL15299214 0.86 NR1H4 (0.51) NR1H4RAB9ANPC1AOC3HPGD
SCHEMBL31375602 0.84 NPC1 (0.54) NR1H4RAB9ANPC1AOC3HPGD
SCHEMBL5641740 0.82 HDAC4 (0.57) NR1H4RAB9ANPC1HDAC4HDAC6
SCHEMBL21889831 0.82 AOC3 (0.50) RAB9ANPC1AOC3HPGDNPSR1
SCHEMBL23917850 0.82 NR1H4 (0.56) NR1H4RAB9ANPC1AOC3KMT2A
SCHEMBL6497959 0.82 AOC3 (0.50) RAB9ANPC1AOC3HPGDNPSR1
SCHEMBL77622 0.81 NR1H4 (0.57) NR1H4RAB9ANPC1AOC3MEN1
SCHEMBL31375480 0.81 AOC3 (0.47) RAB9ANPC1AOC3HPGDNPSR1
SCHEMBL14153764 0.81 NPC1 (0.54) RAB9ANPC1AOC3HPGDNPSR1

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
US-7297797-B2 Pyrrolines BAYER CROPSCIENCE AG (DE) 2007-11-20 US disclosed
US-20060142343-A1 Pyrrolines BAYER CROPSCIENCE AG (DE) 2006-06-29 US disclosed
EP-1546144-A2 DELTA1 PYRROLINES USED AS PESTICIDES Bayer CropScience AG (DE) 2005-06-29 EP disclosed
WO-2004031176-A2 DELTA1 PYRROLINES USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2004-04-15 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-20060142343-A1 Pyrrolines CHRM1, PRMT1, RRS1 NR1H4 4220/4885RAB9A 8/4885NPC1 3694/4885

“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.