SCHEMBL3200327

SCHEMBL3200327

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
ALDH1A1 P00352 8/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 4/20 0.38
BACE1 P56817 3/20 0.38
MYC P01106 1/20 0.38
MAX P61244 1/20 0.38
TP53 P04637 1/20 0.38
AR P10275 1/20 0.37
PELP1 Q8IZL8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
NPC1 O15118 1/20 0.36
GPR35 Q9HC97 1/20 0.36
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL5117607 0.90 MAPT (0.37) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL4189589 0.90 MAPT (0.37) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL4335626 0.90 MAPT (0.37) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL3204875 0.84 ALDH1A1 (0.50) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL3203703 0.80 MAPT (0.44) MAPTALDH1A1KMT2AMEN1BACE1
SCHEMBL14267045 0.80 SMN1; SMN2 (0.38) MAPTALDH1A1KMT2ALMNATP53
SCHEMBL27746818 0.78 BACE1 (0.34) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL27767934 0.78 BACE1 (0.34) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL27767818 0.78 BACE1 (0.34) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL10542203 0.77 MAPT (0.57) MAPTALDH1A1KMT2ALMNAMEN1

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 18 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
EP-2027105-A2 NOVEL PROCESS FOR PREPARING INTERMEDIATES OF CCR ANTAGONISTS AstraZeneca AB (SE) 2009-02-25 EP claimed
US-20080064884-A1 Novel Process 1 ASTRAZENECA AB (SE) 2008-03-13 US claimed
WO-2008010764-A2 A PROCESS FOR THE PREPARATION OF SUBSTITUTED 2-ACETYLAMINO-ALKOXYPHENYL ASTRAZENECA AB (SE) 2008-01-24 WO claimed
WO-2007129960-A2 NOVEL PROCESSES FOR PREPARING INTERMEDIATES OF CCR ANTAGONISTS ASTRAZENECA AB (SE) 2007-11-15 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
EP-2027105-A2 NOVEL PROCESS FOR PREPARING INTERMEDIATES OF CCR ANTAGONISTS AstraZeneca AB (SE) 2009-02-25 EP disclosed
US-20080064884-A1 Novel Process 1 ASTRAZENECA AB (SE) 2008-03-13 US disclosed
US-20080064884-A1 Novel Process 1 ASTRAZENECA AB (SE) 2008-03-13 US disclosed
US-20080064884-A1 Novel Process 1 ASTRAZENECA AB (SE) 2008-03-13 US 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
WO-2007129960-A2 NOVEL PROCESSES FOR PREPARING INTERMEDIATES OF CCR ANTAGONISTS ASTRAZENECA AB (SE) 2007-11-15 WO disclosed
WO-2007129960-A2 NOVEL PROCESSES FOR PREPARING INTERMEDIATES OF CCR ANTAGONISTS ASTRAZENECA AB (SE) 2007-11-15 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 (2 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-20080064884-A1 Novel Process 1 TPX2, UGT1A1, BRIX1 MAPT 4422/4885ALDH1A1 294/4885KMT2A 4265/4885
US-20100041905-A1 Process for the Preparation of Substituted 2-Acetylamino-Alkoxyphenyl F12, RPS4Y1, CCNA1 MAPT 4469/4885ALDH1A1 126/4885KMT2A 649/4885

“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.