SCHEMBL2164399

SCHEMBL2164399

COc1ccc(-c2ccn3c(n2)nc2cc(NCCCF)ccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TP53 P04637 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HSD17B10 Q99714 1/20 0.42
TLR9 Q9NR96 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
GFER P55789 1/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SYK P43405 4/20 0.39
APP P05067 3/20 0.38
RAD51 Q06609 2/20 0.37
ABCB1 P08183 1/20 0.36
PPARG P37231 1/20 0.36
ACP1 P24666 1/20 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
SCHEMBL12323589 0.95 ALDH1A1 (0.40) ALDH1A1TP53SMN1; SMN2KDM4ENPC1
SCHEMBL2162678 0.92 TLR9 (0.40) ALDH1A1TP53TLR9TLR7MAPT
SCHEMBL2163599 0.89 APP (0.39) ALDH1A1TP53TLR9TLR7MAPT
SCHEMBL484125 0.79 APP (0.46) ALDH1A1TP53SMN1; SMN2KDM4ENPC1
SCHEMBL12402982 0.78 APP (0.41) ALDH1A1TP53SMN1; SMN2KDM4ENPC1
SCHEMBL2164712 0.77 ACP1 (0.38) ALDH1A1TP53MAPTMEN1KMT2A
SCHEMBL2163077 0.77 RAD51 (0.60) ALDH1A1TP53SMN1; SMN2KDM4ENPC1
SCHEMBL2162641 0.77 RAD51 (0.51) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL12403622 0.75 TP53 (0.40) ALDH1A1TP53SMN1; SMN2KDM4ENPC1
SCHEMBL2163659 0.74 APP (0.39) ALDH1A1TP53SMN1; SMN2NPC1RAB9A

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 5 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

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 ALDH1A1 3926/4885TP53 2096/4885SMN1; SMN2 26/4885

“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.