SCHEMBL3203703

SCHEMBL3203703

CC1(COc2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CO1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MYC P01106 1/20 0.43
MAX P61244 1/20 0.43
CYP19A1 P11511 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ATM Q13315 1/20 0.43
BACE1 P56817 1/20 0.43
CTSV O60911 2/20 0.43
CTSL P07711 2/20 0.43
MAOB P27338 3/20 0.42
AR P10275 1/20 0.41
MAOA P21397 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SIRT1 Q96EB6 1/20 0.40

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
SCHEMBL7907625 0.83 MEN1 (0.54) MAPTMEN1KMT2AMYCMAX
SCHEMBL3200327 0.80 MAPT (0.40) MAPTMEN1KMT2AMYCMAX
SCHEMBL4326387 0.80 KMT2A (0.57) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL16273773 0.79 MAPT (0.54) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL27490731 0.78 BACE1 (0.52) MAPTMEN1KMT2ACYP19A1NPC1
SCHEMBL1228633 0.78 PTGS1 (0.51) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL3204875 0.77 ALDH1A1 (0.50) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL3926941 0.77 KMT2A (0.53) MAPTMEN1KMT2AMYCMAX
SCHEMBL30189830 0.77 KMT2A (0.53) MAPTMEN1KMT2AMYCMAX
SCHEMBL7552860 0.77 MEN1 (0.53) MAPTMEN1KMT2AMYCMAX

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 MAPT 4469/4885MEN1 1336/4885KMT2A 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.