SCHEMBL483961

SCHEMBL483961

O=C(O)Nc1ccc(-c2ccc3ccccc3n2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.53
RAB9A P51151 11/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
NFKB1 P19838 4/20 0.53
NFKB2 Q00653 4/20 0.53
RELA Q04206 4/20 0.53
TP53 P04637 3/20 0.53
MAPT P10636 2/20 0.53
HCRTR1 O43613 1/20 0.53
AR P10275 2/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP3A4 P08684 2/20 0.45
GMNN O75496 1/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
THPO P40225 1/20 0.45
BLM P54132 1/20 0.45

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
SCHEMBL12403311 0.81 GSK3B (0.47) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL21974426 0.81 NCF1 (0.61) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL483796 0.81 AR (0.58) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL28056008 0.80 NPC1 (0.72) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL4876684 0.78 DEGS1 (0.58) NPC1RAB9AKMT2AMEN1
SCHEMBL21974285 0.78 KDM4E (0.51) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL13127343 0.75 APP (0.46) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
2-Phenylquinoline SCHEMBL5080767 0.74 AR (0.67) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL16896624 0.73 DGAT1 (0.45)
SCHEMBL28763899 0.73 ALDH1A1 (0.52) NPC1RAB9ASMN1; SMN2NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411057-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2020-05-06 EP disclosed
EP-2550255-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2016-04-27 EP disclosed
US-20130302248-A1 Imaging Agents for Detecting Neurological Disorders LILLY CO ELI (US) 2013-11-14 US disclosed
US-8491869-B2 Imaging agents for detecting neurological disorders ELI LILLY AND COMPANY (US) 2013-07-23 US disclosed
EP-2411057-A2 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS Siemens Medical Solutions USA, Inc. (US) 2012-02-01 EP disclosed
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-28 US disclosed
WO-2010111303-A2 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-30 WO disclosed
US-20100239496-A1 Imaging agents for detecting neurological disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-23 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 (3 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-20130302248-A1 Imaging Agents for Detecting Neurological Disorders MAPT, APP, PSEN1 NPC1 68/4885RAB9A 1055/4885SMN1; SMN2 39/4885
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders MAPT, APP, PSEN1 NPC1 143/4885RAB9A 1434/4885SMN1; SMN2 26/4885
US-20100239496-A1 Imaging agents for detecting neurological disorders MAPT, APP, PSEN1 NPC1 68/4885RAB9A 1055/4885SMN1; SMN2 39/4885

“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.