SCHEMBL8958726

SCHEMBL8958726

C=C(c1cc(-c2ccccc2)c2ccccc2n1)N(CC)CC

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
CTNNB1 P35222 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GRM2 Q14416 3/20 0.45
TSPO P30536 1/20 0.42
ACACA Q13085 2/20 0.42
ACP1 P24666 1/20 0.40

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
SCHEMBL14018728 0.83 ALDH1A1 (0.51) ALDH1A1MAPTL3MBTL1GRM2TSPO
SCHEMBL31384338 0.73 GRM2 (0.58) ALDH1A1GRM2ACACA
SCHEMBL2114841 0.72 GRM2 (0.61) ALDH1A1GRM2ACACA
SCHEMBL28588114 0.72 SMN1; SMN2 (0.55) ALDH1A1MEN1MAPTMAPK1KMT2A
SCHEMBL10675880 0.72 TSPO (0.60) ALDH1A1MEN1MAPK1KMT2ATSPO
Hydrochloric Acid SCHEMBL10673126 0.71 ALDH1A1 (0.45) ALDH1A1MEN1USP2MAPTMAPK1
SCHEMBL10682606 0.71 LTB4R (0.58) ALDH1A1MAPTACACA
SCHEMBL10677892 0.70 ALDH1A1 (0.60) ALDH1A1MEN1MAPTMAPK1KMT2A
SCHEMBL3184009 0.70 GRM2 (0.81) GRM2
SCHEMBL28879046 0.70 ALDH1A1 (0.71) ALDH1A1MEN1MAPTKMT2AGRM2

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 7 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-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-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-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 1393/4885MEN1 2657/4885USP2 3974/4885
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 3250/4885USP2 2908/4885
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 3250/4885USP2 2908/4885

“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.