SCHEMBL4908034

SCHEMBL4908034

N#Cc1c(SCC(N)=O)ncnc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.47
ALDH1A1 P00352 9/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TSHR P16473 1/20 0.43
MYC P01106 1/20 0.42
WDR5 P61964 1/20 0.42
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
ADORA1 P30542 3/20 0.39
ADORA3 P0DMS8 1/20 0.39
LMNA P02545 1/20 0.39
GRK6 P43250 1/20 0.39
ADORA2B P29275 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4909305 0.82 ALDH1A1 (0.48) BACE1ALDH1A1SMN1; SMN2TSHRMYC
SCHEMBL4897863 0.79 BACE1 (0.47) BACE1ALDH1A1SMN1; SMN2TSHRMYC
SCHEMBL4909656 0.78 KMO (0.46) ALDH1A1SMN1; SMN2TSHRMAPTMEN1
SCHEMBL4898155 0.78 MYC (0.45) ALDH1A1SMN1; SMN2TSHRMYCWDR5
SCHEMBL4904156 0.76 PDE4D (0.47) ALDH1A1SMN1; SMN2TSHRMYCWDR5
SCHEMBL14285239 0.70 RXFP1 (0.49) BACE1ALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL13913805 0.69 ADORA1 (0.66) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL11218179 0.68 HSP90AA1 (0.57) ALDH1A1SMN1; SMN2TSHRMAPTMEN1
SCHEMBL14501793 0.68 PARP1 (0.45) BACE1ALDH1A1SMN1; SMN2MYCWDR5
SCHEMBL5501424 0.67 LMNA (0.54) ALDH1A1SMN1; SMN2MYCWDR5MAPT

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-1984377-A2 INHIBITORS OF TNF ALPHA , PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH Signal Pharmaceuticals LLC (US) 2008-10-29 EP disclosed
US-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith MCKENNA JEFFREY M 2008-01-03 US disclosed
WO-2007084560-A2 INHIBITORS OF TNFα, PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2007-07-26 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-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith PDE4A, PDE4B, BRAF BACE1 550/4885ALDH1A1 1662/4885SMN1; SMN2 3598/4885

“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.