SCHEMBL2163741

SCHEMBL2163741

CN(C(=O)OC(C)(C)C)c1ccc(-c2cc(F)c3ccccc3n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.58
BRD4 O60885 1/20 0.45
CYP3A4 P08684 2/20 0.43
ACP1 P24666 1/20 0.42
TACR3 P29371 3/20 0.42
DHODH Q02127 3/20 0.41
ACACB O00763 2/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PDE10A Q9Y233 1/20 0.40
ACACA Q13085 1/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL483403 0.85 CYP3A4 (0.48) CYP3A4TACR3DHODHKDM4EALDH1A1
SCHEMBL483829 0.83 PAX8 (0.54) PAX8BRD4CYP3A4TACR3DHODH
SCHEMBL484152 0.78 CYP3A4 (0.54) CYP3A4ACP1KDM4EALDH1A1LMNA
SCHEMBL2163744 0.76 DHODH (0.44) CYP3A4TACR3DHODHKDM4EALDH1A1
SCHEMBL1691044 0.76 PAX8 (0.60) PAX8BRD4KDM4EALDH1A1MEN1
SCHEMBL12467969 0.76 CYP19A1 (0.47) CYP3A4ACP1DHODHKDM4EALDH1A1
SCHEMBL5958744 0.75 PAX8 (0.49) PAX8BRD4DHODHALDH1A1MEN1
SCHEMBL2163763 0.74 PAX8 (0.57) PAX8BRD4KDM4EMEN1KMT2A
SCHEMBL483842 0.74 PAX8 (0.60) PAX8BRD4KDM4ESMN1; SMN2NPC1
SCHEMBL18027572 0.74 ESR1 (0.56) PAX8BRD4

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 10 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
US-20130302248-A1 Imaging Agents for Detecting Neurological Disorders LILLY CO ELI (US) 2013-11-14 US disclosed
US-20130302248-A1 Imaging Agents for Detecting Neurological Disorders LILLY CO ELI (US) 2013-11-14 US 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
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
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
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 PAX8 4205/4885BRD4 4580/4885CYP3A4 4271/4885
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders MAPT, APP, PSEN1 PAX8 4170/4885BRD4 4416/4885CYP3A4 4408/4885
US-20100239496-A1 Imaging agents for detecting neurological disorders MAPT, APP, PSEN1 PAX8 4205/4885BRD4 4580/4885CYP3A4 4271/4885

“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.