SCHEMBL3200247

SCHEMBL3200247

C=C(C)COc1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.47
TSHR P16473 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 7/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 5/20 0.45
S1PR4 O95977 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HTR2B P41595 2/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTT P42858 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL31693741 0.88 KDM4E (0.50) MAPK1TSHRKDM4EMAPTKMT2A
SCHEMBL20523189 0.84 MAPT (0.46) MAPK1KDM4EMAPTKMT2AMEN1
SCHEMBL1341504 0.84 ALDH1A1 (0.53) MAPK1TSHRKDM4EMAPTKMT2A
SCHEMBL3201816 0.84 ALDH1A1 (0.46) KDM4EMAPTKMT2AMEN1ALDH1A1
SCHEMBL1106989 0.83 TDP1 (0.52) MAPK1KDM4EMAPTKMT2AMEN1
SCHEMBL3199054 0.82 ALDH1A1 (0.64) MAPK1KDM4EMAPTKMT2AMEN1
SCHEMBL10197531 0.82 NPC1 (0.46) MAPK1KDM4EMAPTKMT2AMEN1
SCHEMBL316689 0.81 MAPT (0.57) MAPK1TSHRMAPTKMT2AMEN1
SCHEMBL5098363 0.79 S1PR4 (0.50) MAPK1TSHRKDM4EMAPTKMT2A
SCHEMBL5443492 0.78 ALDH1A1 (0.68) MAPK1KDM4EMAPTKMT2AMEN1

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 7 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 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
US-5521147-A HERBICIDES FMC CORPORATION (US) 1996-05-28 US disclosed
WO-1995005079-A1 3-(BENZOFURAN-7-YL)-6-HALOALKYLURACILS FMC CORPORATION (US) 1995-02-23 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 MAPK1 3610/4885TSHR 862/4885KDM4E 989/4885

“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.