SCHEMBL3026882

SCHEMBL3026882

NC(=O)CC(C(N)=O)c1c(-c2cccc(Br)c2)nc2ccc(Cl)cn12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMD14 O00487 1/20 0.48
▸ TRPA1 O75762 4/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ GABRA2 P47869 2/20 0.38
▸ GABRB2 P47870 2/20 0.38
▸ SLC2A1 P11166 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ ATM Q13315 1/20 0.36
▸ PLA2G1B P04054 2/20 0.36
▸ ATG4B Q9Y4P1 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
Acetamide SCHEMBL3026879 0.78 PSMD14 (0.58) PSMD14GABRA2GABRB2
SCHEMBL3027889 0.75 PSMD14 (0.59) PSMD14GABRA2GABRB2
SCHEMBL15331333 0.72 PSMD14 (0.53) PSMD14TRPA1CYP1A2CYP2C9CYP2C19
SCHEMBL3022537 0.71 GABRA2 (0.66) PSMD14GABRA2GABRB2
SCHEMBL3021592 0.70 ALDH1A1 (0.70) PSMD14TRPA1GABRA2GABRB2SLC2A1
SCHEMBL7261 0.63 GABRA2 (0.68) GABRA2GABRB2SLC2A1ALDH1A1KMT2A
SCHEMBL12651708 0.62 SMN1; SMN2 (0.48) CYP1A2CYP2C9CYP2C19ALDH1A1GAA
SCHEMBL6495169 0.62 CYP1A2 (0.52) PSMD14TRPA1CYP1A2CYP2C9CYP2C19
SCHEMBL19568944 0.61 MAPT (0.69) CYP1A2CYP2C9CYP2C19ALDH1A1HPGD
SCHEMBL1338977 0.61 CYP1A2 (0.69) CYP1A2CYP2C9CYP2C19GABRA2GABRB2

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 PSMD14 4214/4885TRPA1 647/4885CYP1A2 572/4885

“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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