SCHEMBL3598244

SCHEMBL3598244

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.38
MAP2K4 P45985 1/20 0.37
ALDH1A1 P00352 5/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 2/20 0.34
P2RX3 P56373 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PLA2G2A P14555 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
SCHEMBL31190618 1.00 MET (0.38) METMAP2K4ALDH1A1MAPTLMNA
SCHEMBL3600765 0.86 MAP2K4 (0.37) METMAP2K4ALDH1A1MAPTLMNA
SCHEMBL3608498 0.85 TSHR (0.37) METMAP2K4ALDH1A1MAPTLMNA
SCHEMBL3610439 0.84 MAP2K4 (0.36) METMAP2K4ALDH1A1MAPTLMNA
SCHEMBL3604564 0.84 ELANE (0.40) METMAP2K4ALDH1A1MAPTLMNA
SCHEMBL3597479 0.83 MAP2K4 (0.35) METMAP2K4ALDH1A1MAPTLMNA
SCHEMBL18837358 0.81 MAP2K4 (0.40) MAP2K4ALDH1A1L3MBTL1KDM4E
SCHEMBL31190872 0.81 TDP1 (0.40) METALDH1A1POLBL3MBTL1HTT
SCHEMBL16724831 0.80 MAP2K4 (0.39) MAP2K4ALDH1A1POLBL3MBTL1HTT
SCHEMBL31190600 0.80 MAP2K4 (0.39) MAP2K4ALDH1A1LMNAPOLBKDM4E

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 6 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
US-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2010-03-11 US disclosed
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
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 MET 700/4885MAP2K4 72/4885ALDH1A1 985/4885

“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.