SCHEMBL3204875

SCHEMBL3204875

CC1(COc2cc(F)ccc2[N+](=O)[O-])CO1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MAPT P10636 5/20 0.50
TDP1 Q9NUW8 2/20 0.45
ATM Q13315 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.42
FAAH O00519 2/20 0.39
ACHE P22303 2/20 0.39
BCHE P06276 1/20 0.39
MAPK1 P28482 1/20 0.39
HSPB1 P04792 2/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL4346182 0.90 ALDH1A1 (0.47) ALDH1A1MAPTTDP1ATMPKM
SCHEMBL5127613 0.90 ALDH1A1 (0.47) ALDH1A1MAPTTDP1ATMPKM
SCHEMBL3200327 0.84 MAPT (0.40) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL14267045 0.80 SMN1; SMN2 (0.38) ALDH1A1MAPTTDP1PKMSMN1; SMN2
SCHEMBL27767917 0.78 ALDH1A1 (0.45) ALDH1A1MAPTTDP1ATMPKM
SCHEMBL3203703 0.77 MAPT (0.44) ALDH1A1MAPTATMMEN1KMT2A
SCHEMBL310522 0.77 MAPT (0.57) ALDH1A1MAPTTDP1ATMPKM
SCHEMBL309683 0.76 ALDH1A1 (0.52) ALDH1A1MAPTTDP1ATMPKM
SCHEMBL13486195 0.76 MGLL (0.34) L3MBTL1
SCHEMBL3199054 0.75 ALDH1A1 (0.64) ALDH1A1MAPTTDP1ATMPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041905-A1 Process for the Preparation of Substituted 2-Acetylamino-Alkoxyphenyl ASTRAZENECA AB (SE) 2010-02-18 US claimed
EP-2044045-A2 A PROCESS FOR THE PREPARATION OF SUBSTITUTED 2-ACETYLAMINO-ALKOXYPHENYL AstraZeneca AB (SE) 2009-04-08 EP claimed
WO-2008010764-A2 A PROCESS FOR THE PREPARATION OF SUBSTITUTED 2-ACETYLAMINO-ALKOXYPHENYL ASTRAZENECA AB (SE) 2008-01-24 WO claimed
US-20100041905-A1 Process for the Preparation of Substituted 2-Acetylamino-Alkoxyphenyl ASTRAZENECA AB (SE) 2010-02-18 US disclosed
US-20100041905-A1 Process for the Preparation of Substituted 2-Acetylamino-Alkoxyphenyl ASTRAZENECA AB (SE) 2010-02-18 US disclosed
US-20100041905-A1 Process for the Preparation of Substituted 2-Acetylamino-Alkoxyphenyl ASTRAZENECA AB (SE) 2010-02-18 US disclosed
EP-2044045-A2 A PROCESS FOR THE PREPARATION OF SUBSTITUTED 2-ACETYLAMINO-ALKOXYPHENYL AstraZeneca AB (SE) 2009-04-08 EP disclosed
WO-2008010764-A2 A PROCESS FOR THE PREPARATION OF SUBSTITUTED 2-ACETYLAMINO-ALKOXYPHENYL ASTRAZENECA AB (SE) 2008-01-24 WO disclosed
WO-2008010764-A2 A PROCESS FOR THE PREPARATION OF SUBSTITUTED 2-ACETYLAMINO-ALKOXYPHENYL ASTRAZENECA AB (SE) 2008-01-24 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-20100041905-A1 Process for the Preparation of Substituted 2-Acetylamino-Alkoxyphenyl F12, RPS4Y1, CCNA1 ALDH1A1 126/4885MAPT 4469/4885TDP1 3188/4885

“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.