SCHEMBL1638973

SCHEMBL1638973

CC(=O)Nc1cc(F)ccc1Oc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 8/20 0.57
LMNA P02545 4/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NPSR1 Q6W5P4 2/20 0.52
ATM Q13315 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
HTR2A P28223 1/20 0.50
SLC6A4 P31645 1/20 0.50
MAPT P10636 1/20 0.48
GAA P10253 3/20 0.48
POLB P06746 2/20 0.48
ADRA2C P18825 1/20 0.48
HTT P42858 1/20 0.47
SCN8A Q9UQD0 1/20 0.47
SCN10A Q9Y5Y9 1/20 0.47

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
SCHEMBL30327328 0.84 ADRA2C (0.64) L3MBTL1LMNASMN1; SMN2ATMTDP1
SCHEMBL2342698 0.84 ADRA2C (0.64) L3MBTL1LMNASMN1; SMN2ATMTDP1
SCHEMBL11325646 0.84 MAPT (0.55) LMNANPSR1ATMCYP1A2CYP3A4
SCHEMBL10416922 0.84 NPSR1 (0.50) L3MBTL1LMNASMN1; SMN2NPSR1ATM
SCHEMBL17086922 0.83 MEN1 (0.45) L3MBTL1LMNASMN1; SMN2NPSR1ATM
SCHEMBL8787198 0.82 L3MBTL1 (0.64) L3MBTL1LMNASMN1; SMN2NPSR1CYP1A2
Hydrochloric Acid SCHEMBL11330417 0.81 NPSR1 (0.48) L3MBTL1LMNASMN1; SMN2NPSR1ATM
SCHEMBL31078153 0.80 ALDH1A1 (0.59) L3MBTL1CYP1A2CYP3A4CYP2C19MAPT
SCHEMBL7646955 0.79 BRD4 (0.74) LMNAGAAMEN1KMT2A
SCHEMBL8977174 0.78 MAPT (0.61) LMNASMN1; SMN2CYP1A2CYP3A4CYP2D6

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841320-B2 Targeted, NIR imaging agents for therapy efficacy monitoring, deep tissue disease demarcation and deep tissue imaging VANDERBILT UNIVERSITY 2014-09-23 US disclosed
US-20130177502-A1 Targeted, NIR Imaging Agents for Therapy Efficacy Monitoring, Deep Tissue Disease Demarcation and Deep Tissue Imaging VANDERBILT UNIVERSITY (US) 2013-07-11 US disclosed
US-8372868-B2 Targeted, NIR imaging agents for therapy efficacy monitoring, deep tissue disease demarcation and deep tissue imaging VANDERBILT UNIVERSITY (US) 2013-02-12 US disclosed
US-8372868-B2 Targeted, NIR imaging agents for therapy efficacy monitoring, deep tissue disease demarcation and deep tissue imaging VANDERBILT UNIVERSITY (US) 2013-02-12 US disclosed
US-8188116-B2 Ligand/drug conjugates; near infrared radiation imaging; peripheral benzodiazepine receptor imaging; drug delivery; drug targets; cancer, metastasis VANDERBILT UNIVERSITY (US) 2012-05-29 US disclosed
US-8188116-B2 Ligand/drug conjugates; near infrared radiation imaging; peripheral benzodiazepine receptor imaging; drug delivery; drug targets; cancer, metastasis VANDERBILT UNIVERSITY (US) 2012-05-29 US disclosed
US-8188116-B2 Ligand/drug conjugates; near infrared radiation imaging; peripheral benzodiazepine receptor imaging; drug delivery; drug targets; cancer, metastasis VANDERBILT UNIVERSITY (US) 2012-05-29 US disclosed
US-20110097269-A1 PHENYLOXYANILINE DERIVATIVES LEHMANN LUTZ 2011-04-28 US disclosed
US-20110097269-A1 PHENYLOXYANILINE DERIVATIVES LEHMANN LUTZ 2011-04-28 US disclosed
US-20110097269-A1 PHENYLOXYANILINE DERIVATIVES LEHMANN LUTZ 2011-04-28 US disclosed
EP-2064176-A1 PHENYLOXYANILINE DERIVATIVES Bayer Schering Pharma Aktiengesellschaft (DE) 2009-06-03 EP disclosed
WO-2008143706-A2 DAA PERIPHERAL BENZODIAZEPINE RECEPTOR LIGAND FOR CANCER IMAGING AND TREATMENT VANDERBILT UNIVERSITY (US) 2008-11-27 WO disclosed
US-20080177108-A1 Phenyloxyaniline derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-24 US disclosed
US-20080177108-A1 Phenyloxyaniline derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-24 US disclosed
US-20080177108-A1 Phenyloxyaniline derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-24 US disclosed
WO-2008028533-A1 PHENYLOXYANILINE DERIVATIVES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 WO disclosed
WO-2008028533-A1 PHENYLOXYANILINE DERIVATIVES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 WO disclosed
US-20080031823-A1 AGENTS FOR THERAPY EFFICACY MONITORING AND DEEP TISSUE IMAGING US GOVERNMENT - SECRETARY FOR THE ARMY 2008-02-07 US disclosed
US-20080031823-A1 AGENTS FOR THERAPY EFFICACY MONITORING AND DEEP TISSUE IMAGING US GOVERNMENT - SECRETARY FOR THE ARMY 2008-02-07 US disclosed
US-20080031823-A1 AGENTS FOR THERAPY EFFICACY MONITORING AND DEEP TISSUE IMAGING US GOVERNMENT - SECRETARY FOR THE ARMY 2008-02-07 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 (4 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-20080031823-A1 AGENTS FOR THERAPY EFFICACY MONITORING AND DEEP TISSUE IMAGING TSPO, MKI67, CNR1 L3MBTL1 2590/4885LMNA 3556/4885SMN1; SMN2 1978/4885
US-20110097269-A1 PHENYLOXYANILINE DERIVATIVES PNMT, PAH, NAT1 L3MBTL1 3352/4885LMNA 3930/4885SMN1; SMN2 3923/4885
US-20130177502-A1 Targeted, NIR Imaging Agents for Therapy Efficacy Monitoring, Deep Tissue Disease Demarcation and Deep Tissue Imaging TSPO, MKI67, GABRA4 L3MBTL1 2678/4885LMNA 3132/4885SMN1; SMN2 1917/4885
US-20080177108-A1 Phenyloxyaniline derivatives PNMT, PAH, NAT1 L3MBTL1 3352/4885LMNA 3930/4885SMN1; SMN2 3923/4885

“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.