SCHEMBL2163340

SCHEMBL2163340

Oc1ccc(-c2cc(O)n3c(c2)nc2ccccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.45
ADORA1 P30542 1/20 0.45
ESR1 P03372 3/20 0.42
ESR2 Q92731 2/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
GRIA1 P42261 1/20 0.42
CACNG8 Q8WXS5 1/20 0.42
CACNG2 Q9Y698 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
MCL1 Q07820 1/20 0.39
PDE2A O00408 2/20 0.39

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
SCHEMBL2164369 0.83 KDM4E (0.37) ADORA2AADORA1KDM4EALDH1A1GAA
SCHEMBL12323537 0.80 PRF1 (0.44) ESR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL2182908 0.76 KDM4E (0.42) KDM4EALDH1A1GAAHPGDMAPK1
SCHEMBL9362915 0.69 CSNK1A1 (0.44) KDM4EALDH1A1GAAHPGDMAPK1
SCHEMBL2163032 0.68 ALDH1A1 (0.60) ADORA2AADORA1KDM4EALDH1A1GAA
SCHEMBL2163957 0.68 ALDH1A1 (0.54) ADORA2AKDM4EALDH1A1GAAHPGD
SCHEMBL15577177 0.68 NOD1 (0.44) ADORA2AKDM4EALDH1A1GAAHPGD
SCHEMBL12439612 0.68 FLT3 (0.47) ESR1ESR2KDM4EALDH1A1GAA
SCHEMBL12395170 0.67 KDM4E (0.55) KDM4EALDH1A1GAAHPGDMEN1
SCHEMBL17993475 0.66 KDM4E (0.54) KDM4EALDH1A1GAAHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2550255-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2016-04-27 EP disclosed
EP-2550255-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2016-04-27 EP disclosed
WO-2011119565-A1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-09-29 WO disclosed
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-28 US disclosed
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-28 US disclosed
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-28 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-20110182812-A1 Imaging Agents for Detecting Neurological Disorders MAPT, APP, PSEN1 ADORA2A 2118/4885ADORA1 962/4885ESR1 4772/4885

“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.