SCHEMBL8959133

SCHEMBL8959133

Clc1ccc(-c2onc3ccc(Cl)cc23)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.81
MEN1 O00255 7/20 0.81
KMT2A Q03164 7/20 0.81
MAPT P10636 4/20 0.81
GFER P55789 1/20 0.81
SMN1; SMN2 Q16637 4/20 0.81
HPGD P15428 3/20 0.81
KDM4E B2RXH2 5/20 0.69
POLB P06746 4/20 0.69
HSD17B10 Q99714 3/20 0.66
TSHR P16473 2/20 0.66
MAPK1 P28482 2/20 0.66
CASP1 P29466 1/20 0.66
LMNA P02545 1/20 0.62
PIM1 P11309 1/20 0.59
IP6K1 Q92551 5/20 0.49
NPC1 O15118 3/20 0.49
IP6K3 Q96PC2 3/20 0.49
IP6K2 Q9UHH9 3/20 0.49
RAB9A P51151 2/20 0.49

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
SCHEMBL11632404 0.90 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AMAPTGFER
SCHEMBL11469513 0.90 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AMAPTGFER
SCHEMBL10933962 0.89 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AMAPTGFER
SCHEMBL12330213 0.86 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AMAPTGFER
SCHEMBL12401812 0.82 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AMAPTGFER
SCHEMBL4027586 0.80 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AMAPTGFER
SCHEMBL2505119 0.79 ALDH1A1 (0.69) ALDH1A1MEN1KMT2AMAPTGFER
SCHEMBL2505118 0.79 ALDH1A1 (0.69) ALDH1A1MEN1KMT2AMAPTGFER
SCHEMBL29941133 0.78 PIM1 (0.66) ALDH1A1MEN1KMT2AMAPTGFER
SCHEMBL11629288 0.77 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AMAPTGFER

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-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
US-7205311-B2 Therapeutic acridone and acridine compounds CANCER RESEARCH TECHNOLOGY LIMITED 2007-04-17 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 1393/4885MEN1 2657/4885KMT2A 3444/4885
US-20100278739-A1 TARGETED, NIR IMAGING AGENTS FOR THERAPY EFFICACY MONITORING, DEEP TISSUE DISEASE DEMARCATION AND DEEP TISSUE IMAGING TSPO, MKI67, GABRA4 ALDH1A1 881/4885MEN1 3250/4885KMT2A 2948/4885
US-20130177502-A1 Targeted, NIR Imaging Agents for Therapy Efficacy Monitoring, Deep Tissue Disease Demarcation and Deep Tissue Imaging TSPO, MKI67, GABRA4 ALDH1A1 881/4885MEN1 3250/4885KMT2A 2948/4885

“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.