SCHEMBL3779733

SCHEMBL3779733

O=[N+]([O-])c1c(CBr)cccc1OC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
PRKCQ Q04759 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
HPGD P15428 1/20 0.33
PDE9A O76083 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
HTT P42858 2/20 0.33
KCNK3 O14649 2/20 0.33
KCNK9 Q9NPC2 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL28795280 0.88 AKR1C3 (0.33) NPC1RECQLRAB9AADORA2AADORA1
SCHEMBL3771931 0.85 AKR1C3 (0.37) ADORA2AADORA1AKR1C3AKR1C2PRKCQ
SCHEMBL6967217 0.81 ALDH1A1 (0.53) NPC1RECQLRAB9AALDH1A1TDP1
SCHEMBL26922160 0.80 AKR1C3 (0.36) NPC1RECQLRAB9AADORA2AADORA1
SCHEMBL6763938 0.79 PTGER1 (0.40) RECQLAKR1C3AKR1C2HPGDKCNK3
SCHEMBL2027979 0.78 ALDH1A1 (0.46) NPC1RECQLRAB9AALDH1A1TDP1
SCHEMBL28795283 0.78 KCNK3 (0.40) ADORA2AADORA1AKR1C3AKR1C2ALDH1A1
SCHEMBL10524671 0.78 MAPT (0.40) ADORA2AADORA1AKR1C3AKR1C2ALDH1A1
SCHEMBL1459508 0.78 GPR35 (0.49) NPC1RECQLRAB9AAKR1C3AKR1C2
SCHEMBL7082751 0.76 ALDH1A1 (0.39) ADORA2AADORA1AKR1C3AKR1C2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2443092-B1 BICYCLIC AND TRICYCLIC COMPOUNDS AS KAT II INHIBITORS PFIZER (US) 2015-04-08 EP disclosed
US-8183238-B2 Bicyclic and tricyclic compounds as KAT II inhibitors PFIZER INC. (US) 2012-05-22 US disclosed
US-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors PFIZER INC 2010-12-23 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-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors KAT2A, KAT2B, KAT6B NPC1 740/4885RECQL 1552/4885RAB9A 904/4885

“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.