SCHEMBL514643

SCHEMBL514643

Nc1ccccc1CN1CCOCC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
F10 P00742 1/20 0.36
CYP2A13 Q16696 4/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
KLKB1 P03952 1/20 0.36
TAS2R8 Q9NYW2 1/20 0.36
PER2 O15055 2/20 0.36
CRY2 Q49AN0 1/20 0.36
GRM2 Q14416 1/20 0.35
CYP11B2 P19099 2/20 0.35
CYP11B1 P15538 1/20 0.35
RORC P51449 1/20 0.35
GCK P35557 1/20 0.35
PDK2 Q15119 1/20 0.35
PRKDC P78527 1/20 0.35
HDAC3 O15379 1/20 0.35

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
SCHEMBL31166762 0.78 GRM2 (0.40) PRMT5WDR77F10CYP2A13ADORA2A
SCHEMBL1553262 0.78 L3MBTL1 (0.54) PRMT5WDR77
SCHEMBL514404 0.77 ACHE (0.48) SIRT2SIRT1
SCHEMBL14537170 0.76 MAPK1 (0.56) SIRT2SIRT1PER2
SCHEMBL79013 0.75 GRM2 (0.43) PRMT5WDR77F10KLKB1GRM2
SCHEMBL1805085 0.74 CYP11B2 (0.43) PRMT5WDR77CYP2A13KLKB1GRM2
SCHEMBL2338990 0.74 CYP2A13 (0.64) CYP2A13ADORA2AADORA1
SCHEMBL3996399 0.73 BCHE (0.55)
SCHEMBL2583214 0.73 PIK3CD (0.44) SIRT2SIRT1PER2CRY2GRM2
Hydrochloric Acid SCHEMBL9423982 0.72 CYP2A13 (0.62) CYP2A13ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-02 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 (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-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 SIRT2 2248/4885SIRT1 2729/4885PRMT5 1096/4885

“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.