SCHEMBL3036183

SCHEMBL3036183

O=C(NCc1c(-c2ccc(Cl)nc2)nc2ccc(Cl)cn12)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GABRA2 P47869 2/20 0.46
GABRB2 P47870 2/20 0.46
SLC2A2 P11168 1/20 0.43
NR1I2 O75469 1/20 0.42
ABCB11 O95342 1/20 0.42
ALB P02768 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
TSPO P30536 1/20 0.42
ADORA1 P30542 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42
OPRK1 P41145 1/20 0.42
PDE4D Q08499 1/20 0.42
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL3035227 0.91 SLC2A1 (0.46) SLC2A1CYP1A2CYP2C9CYP2C19GABRA2
SCHEMBL10758271 0.82 NR1H4 (0.57) SLC2A1CYP1A2CYP2C9CYP2C19GABRA2
SCHEMBL3027856 0.73 TSPO (0.67) GABRA2GABRB2NR1I2ABCB11ALB
SCHEMBL16383924 0.69 LMNA (0.72) CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL4260996 0.69 GABRA1 (0.50) SLC2A1GABRA2GABRB2ALBOPRK1
SCHEMBL8837372 0.69 L3MBTL1 (0.74) CYP2C9L3MBTL1
SCHEMBL4258953 0.69 GABRA1 (0.52) GABRA2GABRB2ALBOPRK1KCNH2
SCHEMBL3027377 0.69 TSPO (0.58) TSPO
SCHEMBL8150 0.68 GABRA2 (0.70) SLC2A1GABRA2GABRB2SLC2A2NR1I2
SCHEMBL1430182 0.68 SLC2A1 (0.48) SLC2A1CYP1A2CYP2C9CYP2C19GABRA2

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-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

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 SLC2A1 1796/4885CYP1A2 572/4885CYP2C9 1259/4885

“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.