SCHEMBL8959210

SCHEMBL8959210

CNc1ccc(Cl)cc1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
KDM4E B2RXH2 1/20 0.67
GLA P06280 1/20 0.67
GAA P10253 1/20 0.67
MAPT P10636 4/20 0.54
CCR9 P51686 5/20 0.53
LMNA P02545 3/20 0.52
TP53 P04637 2/20 0.52
HTT P42858 2/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
SERPINE1 P05121 1/20 0.50
SLC10A6 Q3KNW5 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 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
SCHEMBL31384417 0.90 MAPT (0.67) ALDH1A1KDM4EGLAGAAMAPT
SCHEMBL333291 0.90 MAPT (0.67) ALDH1A1KDM4EGLAGAAMAPT
Ammonia Solution, Strong SCHEMBL28210514 0.88 MAPT (0.65) ALDH1A1KDM4EGLAGAAMAPT
Ethane SCHEMBL11534058 0.88 MAPT (0.65) ALDH1A1KDM4EGLAGAAMAPT
SCHEMBL15906641 0.88 CCR9 (0.64) ALDH1A1KDM4EGLAGAAMAPT
Glycine SCHEMBL11600509 0.82 SMN1; SMN2 (0.58) ALDH1A1KDM4EGLAGAAMAPT
SCHEMBL15906644 0.82 CCR9 (0.66) ALDH1A1KDM4EGLAGAAMAPT
SCHEMBL1397682 0.81 KDM4E (0.71) ALDH1A1KDM4EGLAGAAMAPT
SCHEMBL9796443 0.81 ALDH1A1 (0.71) ALDH1A1KDM4EGLAGAAMAPT
SCHEMBL15906617 0.81 ALDH1A1 (0.56) ALDH1A1KDM4EGLAGAAMAPT

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 ALDH1A1 1393/4885KDM4E 3901/4885GLA 3599/4885
US-20100278739-A1 TARGETED, NIR IMAGING AGENTS FOR THERAPY EFFICACY MONITORING, DEEP TISSUE DISEASE DEMARCATION AND DEEP TISSUE IMAGING TSPO, MKI67, GABRA4 ALDH1A1 881/4885KDM4E 3611/4885GLA 3055/4885
US-20130177502-A1 Targeted, NIR Imaging Agents for Therapy Efficacy Monitoring, Deep Tissue Disease Demarcation and Deep Tissue Imaging TSPO, MKI67, GABRA4 ALDH1A1 881/4885KDM4E 3611/4885GLA 3055/4885

“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.