SCHEMBL1493371

SCHEMBL1493371

O=[N+]([O-])c1cnc2cc(-c3ccc(Cl)cc3)nn2c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 11/20 0.63
FTO Q9C0B1 4/20 0.57
MAPT P10636 6/20 0.49
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MCL1 Q07820 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PSD A5PKW4 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
SCHEMBL1493336 0.87 ALKBH5 (0.61) ALKBH5FTOMAPTMEN1KMT2A
SCHEMBL1493314 0.86 MAPT (0.63) ALKBH5FTOMAPTRAB9ANPC1
SCHEMBL1490935 0.86 ALKBH5 (0.51) ALKBH5FTOMAPTALDH1A1MEN1
SCHEMBL1493265 0.82 ALKBH5 (0.53) ALKBH5FTOMAPT
SCHEMBL1493267 0.80 ALKBH5 (0.51) ALKBH5FTOMAPTMEN1KMT2A
SCHEMBL1667886 0.79 NPC1 (0.56) ALKBH5FTOMAPTRAB9ANPC1
SCHEMBL1493335 0.79 MAPT (0.45) ALKBH5FTOMAPT
SCHEMBL30512052 0.78 ALKBH5 (1.00) ALKBH5FTOMAPTRAB9ANPC1
SCHEMBL30737660 0.76 ALKBH5 (0.72) ALKBH5FTOMAPTRAB9ANPC1
SCHEMBL1493423 0.76 NPC1 (0.52) ALKBH5FTOMAPTRAB9ANPC1

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 ALKBH5 4874/4885FTO 4701/4885MAPT 900/4885

“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.