SCHEMBL1493314

SCHEMBL1493314

Cc1ccc(-c2cc3ncc([N+](=O)[O-])cn3n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.63
ALDH1A1 P00352 4/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 3/20 0.51
GAA P10253 2/20 0.51
POLB P06746 1/20 0.51
STAT3 P40763 1/20 0.51
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALKBH5 Q6P6C2 11/20 0.51
FTO Q9C0B1 4/20 0.51
KDM4E B2RXH2 2/20 0.49
THRB P10828 1/20 0.48
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 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
SCHEMBL1493336 0.87 ALKBH5 (0.61) MAPTALKBH5FTOKDM4ETHRB
SCHEMBL1490935 0.86 ALKBH5 (0.51) MAPTALDH1A1ALKBH5FTO
SCHEMBL1493371 0.86 ALKBH5 (0.63) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1493335 0.82 MAPT (0.45) MAPTALKBH5FTO
SCHEMBL1493265 0.82 ALKBH5 (0.53) MAPTALKBH5FTOCYP2C9CYP2C19
SCHEMBL1493267 0.80 ALKBH5 (0.51) MAPTALKBH5FTOKDM4E
SCHEMBL1490692 0.77 MAPT (0.43) MAPTNPC1RAB9ALMNAPOLB
SCHEMBL1493441 0.76 SMN1; SMN2 (0.55) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1493274 0.75 MET (0.48) MAPTLMNAALKBH5FTO
SCHEMBL1493305 0.75 MAPT (0.41) MAPTALDH1A1NPC1RAB9ASMN1; SMN2

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
EP-2470539-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2012-07-04 EP disclosed
US-20120157451-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC (US) 2012-06-21 US disclosed
WO-2011025951-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-03-03 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-20120157451-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF MAPT 900/4885ALDH1A1 1505/4885NPC1 2144/4885

“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.