SCHEMBL2980671

SCHEMBL2980671

Cc1ccc(CNc2nc(N)nc(Cl)c2NC=O)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SLC29A1 Q99808 1/20 0.37
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HSP90AA1 P07900 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
PRKCQ Q04759 2/20 0.35

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
SCHEMBL2846685 0.92 MAPT (0.37) ALDH1A1CYP3A4MAPTTDP1L3MBTL1
SCHEMBL2982269 0.85 APP (0.43) MAPTNPC1SMN1; SMN2LMNAGAA
SCHEMBL2992876 0.76 MAPT (0.41) ALDH1A1CYP3A4MAPTTDP1L3MBTL1
SCHEMBL13244946 0.75 APP (0.52) SMN1; SMN2EGFRPDE5A
SCHEMBL2984748 0.65 ADORA2A (0.50) ALDH1A1CYP3A4TSHRRECQLKMT2A
SCHEMBL10039247 0.65 KMT2A (0.51) ALDH1A1CYP3A4TSHRRECQLMAPT
SCHEMBL5175689 0.65 TLR8 (0.55) L3MBTL1
SCHEMBL1225410 0.65 ALDH1A1 (0.53) ALDH1A1CYP3A4TSHRRECQLMAPT
SCHEMBL4045936 0.65 EGFR (0.53) ALDH1A1TSHRMAPTTDP1MEN1
SCHEMBL26795931 0.64 GHSR (0.44) ALDH1A1MAPTNPC1MEN1KMT2A

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-20100173914-A1 PHARMACEUTICALS, COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. 2010-07-08 US disclosed
EP-2117313-A1 PHARMACEUTICALS, COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME Biogen Idec MA Inc. (US) 2009-11-18 EP disclosed
WO-2008088927-A1 PHARMACEUTICALS, COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2008-07-24 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-20100173914-A1 PHARMACEUTICALS, COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME ADORA2A, P2RY1, P2RY6 ALDH1A1 1852/4885CYP3A4 1116/4885TSHR 926/4885

“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.