SCHEMBL8959269

SCHEMBL8959269

Cn1c2cc(Cl)ccc2c2c(CC(=O)OCc3ccccc3)n[nH]c(=O)c21

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.48
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.38

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
SCHEMBL8959235 0.83 TSPO (0.71) TSPOALDH1A1
SCHEMBL4843555 0.79 TSPO (0.63) TSPO
SCHEMBL4833737 0.76 TSPO (0.44) TSPOALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL5788409 0.74 TSPO (0.44) TSPO
SCHEMBL3926531 0.70 TSPO (0.46) TSPO
SCHEMBL8488740 0.68 MAT2A (0.47) ALDH1A1SMN1; SMN2HPGD
SCHEMBL3923385 0.67 ALPL (0.45) ALDH1A1SMN1; SMN2HPGD
SCHEMBL5702522 0.65 TSPO (0.74) TSPO
SCHEMBL25747385 0.64 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL7496839 0.64 TSPO (0.82) TSPOALDH1A1

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 14 patents. 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-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-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-20100278739-A1 TARGETED, NIR IMAGING AGENTS FOR THERAPY EFFICACY MONITORING, DEEP TISSUE DISEASE DEMARCATION AND DEEP TISSUE IMAGING VANDERBILT UNIVERSITY 2010-11-04 US disclosed
US-20100278739-A1 TARGETED, NIR IMAGING AGENTS FOR THERAPY EFFICACY MONITORING, DEEP TISSUE DISEASE DEMARCATION AND DEEP TISSUE IMAGING VANDERBILT UNIVERSITY 2010-11-04 US disclosed
US-7754884-B2 Targeted, NIR imaging agents for therapy efficacy monitoring, deep tissue disease demarcation and deep tissue imaging VANDERBILT UNIVERSITY (US) 2010-07-13 US disclosed
US-7754884-B2 Targeted, NIR imaging agents for therapy efficacy monitoring, deep tissue disease demarcation and deep tissue imaging VANDERBILT UNIVERSITY (US) 2010-07-13 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 (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-20080031823-A1 AGENTS FOR THERAPY EFFICACY MONITORING AND DEEP TISSUE IMAGING TSPO, MKI67, CNR1 TSPO 1/4885ALDH1A1 1393/4885SMN1; SMN2 1978/4885
US-20100278739-A1 TARGETED, NIR IMAGING AGENTS FOR THERAPY EFFICACY MONITORING, DEEP TISSUE DISEASE DEMARCATION AND DEEP TISSUE IMAGING TSPO, MKI67, GABRA4 TSPO 1/4885ALDH1A1 881/4885SMN1; SMN2 1917/4885
US-20130177502-A1 Targeted, NIR Imaging Agents for Therapy Efficacy Monitoring, Deep Tissue Disease Demarcation and Deep Tissue Imaging TSPO, MKI67, GABRA4 TSPO 1/4885ALDH1A1 881/4885SMN1; SMN2 1917/4885

“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.