SCHEMBL3035121

SCHEMBL3035121

COc1ccc(-c2nc3ccc(Cl)cn3c2CC(N)=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 3/20 0.71
NR1I2 O75469 1/20 0.57
ABCB11 O95342 1/20 0.57
ALB P02768 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
ADORA1 P30542 1/20 0.57
OPRM1 P35372 1/20 0.57
DRD3 P35462 1/20 0.57
OPRK1 P41145 1/20 0.57
PDE4D Q08499 1/20 0.57
KCNH2 Q12809 1/20 0.57
GAA P10253 2/20 0.57
MAPT P10636 2/20 0.57
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
GABRA2 P47869 2/20 0.56
GABRB2 P47870 2/20 0.56
PSMD14 O00487 1/20 0.56
MMP2 P08253 1/20 0.56

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
SCHEMBL7261 0.89 GABRA2 (0.68) TSPONR1I2ABCB11ALBADORA3
SCHEMBL14302332 0.85 TSPO (0.53) TSPONR1I2ABCB11ALBADORA3
SCHEMBL10526954 0.80 TSPO (0.68) TSPONR1I2ABCB11ALBADORA3
SCHEMBL3038387 0.78 TSPO (0.67) TSPONR1I2ABCB11ALBADORA3
SCHEMBL8150 0.78 GABRA2 (0.70) TSPONR1I2ABCB11ALBADORA3
SCHEMBL14797241 0.77 GABRA1 (0.73) TSPONR1I2ABCB11ALBADORA3
SCHEMBL23624072 0.77 SLC2A2 (0.82) TSPONR1I2ABCB11ALBADORA3
SCHEMBL3036905 0.77 TSPO (0.56) TSPONR1I2ABCB11ALBADORA3
SCHEMBL11069376 0.76 TSPO (0.75) TSPONR1I2ABCB11ALBADORA3
SCHEMBL13238059 0.76 TSPO (0.72) TSPONR1I2ABCB11ALBADORA3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2752415-B1 Fluorinated ligands for targeting peripheral benzodiazepine receptors AUSTRALIAN NUCLEAR SCIENCE & TECH ORGANISATION (AU) 2017-10-11 EP disclosed
EP-2752415-A1 Fluorinated ligands for targeting peripheral benzodiazepine receptors AUSTRALIAN NUCLEAR SCIENCE & TECHNOLOGY ORGANISATION (AU) 2014-07-09 EP disclosed
US-20100209345-A1 Fluorinated Ligands for Targeting Peripheral Benzodiazepine Receptors AUSTRALIAN NUCLEAR SCIENCE & TECHNOLOGY ORGANISATION 2010-08-19 US disclosed
EP-2054060-A1 FLUORINATED LIGANDS FOR TARGETING PERIPHERAL BENZODIAZEPINE RECEPTORS AUSTRALIAN NUCLEAR SCIENCE & TECHNOLOGY ORGANISATION (AU) 2009-05-06 EP disclosed
WO-2008022396-A1 FLUORINATED LIGANDS FOR TARGETING PERIPHERAL BENZODIAZEPINE RECEPTORS AUSTRALIAN NUCLEAR SCIENCE & TECHNOLOGY ORGANISATION (AU) 2008-02-28 WO 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 (1 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-20100209345-A1 Fluorinated Ligands for Targeting Peripheral Benzodiazepine Receptors GABRA6, GABRA1, GABRA2 TSPO 41/4885NR1I2 38/4885ABCB11 456/4885

“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.