SCHEMBL3036683

SCHEMBL3036683

CN(C(=O)Cc1c(-c2ccc(OCCF)cc2)nc2c(Cl)cc(Cl)cn12)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TSPO P30536 5/20 0.73
▸ GMNN O75496 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ BLM P54132 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL13217941 1.00 TSPO (0.73) TSPOGMNNLMNAPOLBCYP3A4
SCHEMBL3021820 0.96 TSPO (0.67) TSPO
SCHEMBL13217937 0.96 TSPO (0.67) TSPO
SCHEMBL19444526 0.92 TSPO (0.66) TSPOGMNNLMNAPOLBCYP3A4
SCHEMBL14302334 0.92 TSPO (0.66) TSPOGMNNLMNAPOLBCYP3A4
SCHEMBL3023239 0.88 TSPO (0.70) TSPOGMNNLMNAPOLBCYP3A4
SCHEMBL3016161 0.87 GABRA2 (0.56) TSPO
SCHEMBL13217944 0.87 GABRA2 (0.56) TSPO
SCHEMBL13217930 0.86 TSPO (0.86) TSPOGMNNLMNAPOLBCYP3A4
SCHEMBL3033100 0.86 TSPO (0.86) TSPOGMNNLMNAPOLBCYP3A4

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 6 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-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
US-20100209345-A1 Fluorinated Ligands for Targeting Peripheral Benzodiazepine Receptors AUSTRALIAN NUCLEAR SCIENCE & TECHNOLOGY ORGANISATION 2010-08-19 — — US 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 41/4885GMNN 3307/4885LMNA 2513/4885

“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.

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