SCHEMBL2326552

SCHEMBL2326552

CCN(CC)C(=O)c1cc(I)ccn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
MAPT P10636 2/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.41
GFER P55789 1/20 0.40
HPGD P15428 5/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.39
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 2/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
OPRD1 P41143 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL6615353 0.82 ALDH1A1 (0.45) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL5808527 0.81 ALDH1A1 (0.69) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL12677912 0.81 ALDH1A1 (0.69) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL5700562 0.81 ALDH1A1 (0.43) ALDH1A1MAPTL3MBTL1SMN1; SMN2PIK3C3
SCHEMBL5808530 0.79 ALDH1A1 (0.65) ALDH1A1MAPTL3MBTL1HPGDGABRA2
SCHEMBL5700151 0.74 ALDH1A1 (0.50) ALDH1A1MAPTL3MBTL1SMN1; SMN2LMNA
SCHEMBL6480081 0.74 ALDH1A1 (0.59) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL8405203 0.74 ALDH1A1 (0.58) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL30975214 0.74 ALDH1A1 (0.58) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL13382160 0.73 PARP1 (0.44) L3MBTL1NPC1RAB9ALMNA

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
CN-102239160-A Substituted (pyridyl) -azinylamine derivatives as fungicides BAYER CROPSCIENCE SA 2011-11-09 CN disclosed
US-20110218188-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-09-08 US disclosed
EP-2356107-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-08-17 EP disclosed
WO-2010055077-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2010-05-20 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-20110218188-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS FUNGICIDES CYP1A1, CYP1A2, PNPO ALDH1A1 346/4885MAPT 3040/4885L3MBTL1 2813/4885

“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.