SCHEMBL483953

SCHEMBL483953

O=[N+]([O-])c1cc(Br)nc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.50
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
MAPT P10636 4/20 0.49
RAB9A P51151 2/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 3/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
POLB P06746 1/20 0.47
HPRT1 P00492 1/20 0.47
LMNA P02545 1/20 0.47
GUSB P08236 1/20 0.46
F2 P00734 1/20 0.46
C1R P00736 1/20 0.46
PIM1 P11309 2/20 0.45
PIM3 Q86V86 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CASP6 P55212 1/20 0.44

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
SCHEMBL3298254 0.81 KMT2A (0.54) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL8562475 0.79 KMT2A (0.49) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL28232869 0.79 ALDH1A1 (0.66) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL28286502 0.79 ALDH1A1 (0.66) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL8561151 0.79 BACE1 (0.51) CTSBMEN1KMT2AMAPTRAB9A
SCHEMBL8566524 0.79 MEN1 (0.53) CTSBMEN1KMT2AMAPTRAB9A
SCHEMBL2136947 0.78 MAPT (0.57) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL31469105 0.77 MAPT (0.47) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL8568311 0.77 ALOX15 (0.53) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL8563242 0.77 IGF1R (0.54) MEN1KMT2AMAPTRAB9AMAPK1

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 32 patents — showing the first 20. 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
CN-103739605-B For detecting the developer of neurological disorder 伊莱利利公司 2016-08-17 CN disclosed
EP-2550255-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2016-04-27 EP disclosed
CN-102985411-B Imaging agents for detecting neurological disorders ELI LILLY AND CO. (US) 2016-02-10 CN disclosed
CN-103739605-A Imaging agents for detecting neurological disorders LILLY CO ELI 2014-04-23 CN 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-8491869-B2 Imaging agents for detecting neurological disorders ELI LILLY AND COMPANY (US) 2013-07-23 US disclosed
WO-2010111303-A2 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-30 WO 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
US-20100239496-A1 Imaging agents for detecting neurological disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-23 US disclosed
WO-2010020981-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS UNIVERSITEIT LEIDEN (NL) 2010-02-25 WO disclosed
EP-0029319-B1 QUINOLINYLOXY(AMINO)PHENOXYALKANE CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR SYNTHESIS, HERBICIDAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS HERBICIDES ICI AUSTRALIA LIMITED (AU) 1986-01-15 EP disclosed
US-4444584-A Ethyl 2[4-(7-chloroquinolin-3-yloxy)phenoxy]propionate, the N-oxide, and herbicidal compositions and methods employing them ICI AUSTRALIA LIMITED (AU) 1984-04-24 US disclosed
EP-0098751-A2 Quinolinyloxy(amino)phenols and alkoxyphenyloxy(amino)quinolines ICI AUSTRALIA LIMITED (AU) 1984-01-18 EP disclosed
EP-0029319-A2 Quinolinyloxy(amino)phenoxyalkane carboxylic acid derivatives, process for their synthesis, herbicidal compositions containing them and their use as herbicides ICI AUSTRALIA LIMITED (AU) 1981-05-27 EP 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 (2 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 CTSB 742/4885MEN1 277/4885KMT2A 4744/4885
US-20100239496-A1 Imaging agents for detecting neurological disorders MAPT, APP, PSEN1 CTSB 742/4885MEN1 277/4885KMT2A 4744/4885

“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.