SCHEMBL2162677

SCHEMBL2162677

O=[N+]([O-])c1cccc(-c2ccn3c(n2)nc2ccccc23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
CFTR P13569 6/20 0.50
ALDH1A1 P00352 4/20 0.50
MAPT P10636 4/20 0.50
THRB P10828 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPK1 P28482 1/20 0.49
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL484211 0.86 ADORA2A (0.58) NPC1RAB9ACFTRALDH1A1MAPT
SCHEMBL29892431 0.78 KDM4E (0.49) RAB9AALDH1A1MAPTTDP1MEN1
SCHEMBL12403557 0.78 LMNA (0.43) RAB9ASMN1; SMN2
SCHEMBL2163058 0.78 RAD51 (0.59) NPC1RAB9AALDH1A1MAPTMEN1
SCHEMBL31307046 0.78 CSNK2A2 (0.41) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL18495694 0.78 RAB9A (0.53) NPC1RAB9AALDH1A1MAPTTHRB
SCHEMBL20816310 0.78 RAD51 (0.62) NPC1RAB9ACFTRALDH1A1MAPT
SCHEMBL12473148 0.78 ADORA2A (0.39) ALDH1A1MAPTKDM4ENPSR1L3MBTL1
SCHEMBL2816220 0.75 ADORA2A (0.70) NPC1RAB9ACFTRCASP3SENP8
SCHEMBL2815451 0.75 ADORA2A (0.52) NPC1RAB9ACFTRALDH1A1MAPT

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 NPC1 143/4885RAB9A 1434/4885CFTR 3070/4885

“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.