SCHEMBL522262

SCHEMBL522262

COc1cc(O)c(C(C)=O)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.64
TPMT P51580 1/20 0.44
ALDH1A1 P00352 6/20 0.44
TDP1 Q9NUW8 3/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
HMGCR P04035 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL4138153 0.87 ALDH1A1 (0.46) HTTALDH1A1TDP1CYP3A4TSHR
SCHEMBL26353609 0.84 ALDH1A1 (0.47) HTTALDH1A1TDP1CYP3A4TSHR
SCHEMBL9364706 0.83 POLB (0.49) HTTALDH1A1TDP1CYP3A4TSHR
SCHEMBL13835715 0.83 ALDH1A1 (0.43) HTTALDH1A1TDP1CYP3A4TSHR
SCHEMBL18415341 0.81 ALDH1A1 (0.47) HTTALDH1A1TDP1CYP3A4TSHR
SCHEMBL2678872 0.81 ALDH1A1 (0.51) HTTTPMTALDH1A1TDP1CYP3A4
SCHEMBL9005383 0.81 ALDH1A1 (0.48) TPMTALDH1A1TDP1CYP3A4TSHR
SCHEMBL9908176 0.81 HTT (0.54) HTTTPMTCYP3A4L3MBTL1MAPT
SCHEMBL25962656 0.80 LMNA (0.68) HTTALDH1A1TDP1CYP3A4TSHR
SCHEMBL9364790 0.79 SMN1; SMN2 (0.44) HTTALDH1A1TDP1CYP3A4TSHR

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
WO-2016083490-A1 COMPOUNDS FOR THE TREATMENT OF AMYLOID-ASSOCIATED DISEASES REMYND NV (BE) 2016-06-02 WO disclosed
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed
WO-2009028899-A1 1'-ALKYLPIPERIDINE-4'-SPIRO-2-6-(AMIDO)-2H-BENZOPYRAN DERIVATIVES HAVING ANTICANCER ACTIVITY KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-03-05 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-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 HTT 786/4885TPMT 575/4885ALDH1A1 779/4885

“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.