SCHEMBL3608498

SCHEMBL3608498

CC(C)(C)OC(=O)n1nc(C(=O)O)c2c([N+](=O)[O-])cccc21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAP2K4 P45985 1/20 0.36
MET P08581 2/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
F2 P00734 2/20 0.34
PLAU P00749 2/20 0.34
ELANE P08246 2/20 0.34
KLKB1 P03952 1/20 0.34
CTRB1 P17538 1/20 0.34
PLA2G2A P14555 1/20 0.34
HTT P42858 2/20 0.34
P2RX3 P56373 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL3604564 0.90 ELANE (0.40) TSHRTDP1MAP2K4METALDH1A1
SCHEMBL31190618 0.85 MET (0.38) TDP1L3MBTL1MAP2K4METALDH1A1
SCHEMBL3600765 0.85 MAP2K4 (0.37) L3MBTL1MAP2K4METALDH1A1LMNA
SCHEMBL3598244 0.85 MET (0.38) TDP1L3MBTL1MAP2K4METALDH1A1
SCHEMBL3610439 0.83 MAP2K4 (0.36) L3MBTL1MAP2K4METALDH1A1LMNA
SCHEMBL3597479 0.82 MAP2K4 (0.35) TSHRL3MBTL1MAP2K4METALDH1A1
SCHEMBL13462468 0.81 MAP2K4 (0.41) MAP2K4ALDH1A1F2PLAUELANE
SCHEMBL31190606 0.78 MET (0.38) MAP2K4METALDH1A1LMNAMAPT
SCHEMBL6256806 0.76 HTT (0.42) MAP2K4METALDH1A1MAPTF2
SCHEMBL6389314 0.75 ELANE (0.50) L3MBTL1MAP2K4F2PLAUELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2010-03-11 US disclosed
EP-2057168-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2009-05-13 EP disclosed
WO-2008028141-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2008-03-06 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-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF TSHR 2513/4885TDP1 1691/4885L3MBTL1 2066/4885

“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.