SCHEMBL3030499

SCHEMBL3030499

COc1ccc(-c2cn3cc(Cl)cc(Cl)c3n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.70
RAB9A P51151 8/20 0.70
SMN1; SMN2 Q16637 6/20 0.70
KDM4E B2RXH2 5/20 0.70
NFKB1 P19838 5/20 0.70
NFKB2 Q00653 5/20 0.70
RELA Q04206 5/20 0.70
ALDH1A1 P00352 4/20 0.70
TDP1 Q9NUW8 1/20 0.70
ADORA1 P30542 1/20 0.56
ALDH1A3 P47895 5/20 0.51
MAPT P10636 4/20 0.51
LMNA P02545 3/20 0.51
MEN1 O00255 1/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 1/20 0.51
PKM P14618 2/20 0.50
PPARG P37231 1/20 0.50
TLR9 Q9NR96 2/20 0.49

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
SCHEMBL1691483 0.85 ALDH1A3 (0.62) NPC1RAB9ASMN1; SMN2KDM4ENFKB1
SCHEMBL13325728 0.84 RAB9A (0.51) NPC1RAB9ASMN1; SMN2KDM4ENFKB1
SCHEMBL1691698 0.81 ALDH1A1 (0.52) NPC1RAB9ASMN1; SMN2KDM4ENFKB1
SCHEMBL13325718 0.81 NPC1 (0.63) NPC1RAB9ASMN1; SMN2KDM4ENFKB1
SCHEMBL5738428 0.81 SMN1; SMN2 (0.70) NPC1RAB9ASMN1; SMN2KDM4ENFKB1
SCHEMBL5737395 0.80 PPARG (0.61) NPC1RAB9ASMN1; SMN2KDM4ENFKB1
SCHEMBL10526803 0.78 RAB9A (0.54) NPC1RAB9ASMN1; SMN2KDM4ENFKB1
SCHEMBL13217828 0.77 ALDH1A3 (0.75) NPC1RAB9ASMN1; SMN2KDM4ENFKB1
SCHEMBL13325729 0.74 NPC1 (0.72) NPC1RAB9ASMN1; SMN2KDM4ENFKB1
SCHEMBL12848984 0.74 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2KDM4ENFKB1

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-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
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 NPC1 524/4885RAB9A 1716/4885SMN1; SMN2 1202/4885

“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.