SCHEMBL1852097

SCHEMBL1852097

FCCOCCOCCOc1cccc(-c2cc3ccccn3c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.60
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
NPC1 O15118 2/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LTA4H P09960 1/20 0.38
BACE1 P56817 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
CHRNB2 P17787 3/20 0.36
CHRNB4 P30926 3/20 0.36
CHRNA3 P32297 3/20 0.36
CHRNA7 P36544 3/20 0.36
CHRNA4 P43681 3/20 0.36

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
SCHEMBL13394694 0.92 HRH3 (0.65) HRH3ALDH1A1KDM4ENPC1POLB
SCHEMBL13394698 0.88 HRH3 (0.66) HRH3ALDH1A1KDM4ENPC1POLB
SCHEMBL13660594 0.75 HRH3 (1.00) HRH3KDM4EL3MBTL1LTA4HBACE1
SCHEMBL1851663 0.74 NPC1 (0.58) HRH3ALDH1A1KDM4ENPC1POLB
SCHEMBL3895951 0.72 ALDH1A1 (0.58) HRH3ALDH1A1KDM4ENPC1POLB
SCHEMBL1855460 0.71 HRH3 (0.64) HRH3ALDH1A1KDM4ENPC1POLB
SCHEMBL24227340 0.70 APP (0.53) ALDH1A1KDM4EMAPT
SCHEMBL8086750 0.70 HRH3 (0.65) HRH3ALDH1A1KDM4ENPC1POLB
SCHEMBL8090027 0.69 HRH3 (0.67) HRH3ALDH1A1KDM4ENPC1POLB
SCHEMBL25123531 0.68 ALDH1A1 (0.58) HRH3ALDH1A1KDM4ELTA4HBACE1

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-8420052-B2 Imaging agents useful for identifying AD pathology SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-04-16 US disclosed
EP-2323697-A2 IMAGING AGENTS USEFUL FOR IDENTIFYING AD PATHOLOGY Siemens Medical Solutions USA, Inc. (US) 2011-05-25 EP disclosed
US-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology SIEMENS MEDICAL SOLUTIONS USA, INC. 2010-04-22 US disclosed
WO-2010011964-A2 IMAGING AGENTS USEFUL FOR IDENTIFYING AD PATHOLOGY SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-01-28 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-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology APP, APBA1, PYGB HRH3 4453/4885ALDH1A1 1389/4885KDM4E 2997/4885

“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.