SCHEMBL4897863

SCHEMBL4897863

N#Cc1c(SCC(N)=O)nc(NC2CC2)nc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.47
ALDH1A1 P00352 5/20 0.44
TSHR P16473 1/20 0.44
CTSL P07711 2/20 0.43
CTSB P07858 2/20 0.43
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MYC P01106 1/20 0.41
WDR5 P61964 1/20 0.41
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
BRAF P15056 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR1B P28222 1/20 0.39
ADORA2B P29275 1/20 0.39
OPRK1 P41145 1/20 0.39
FFAR4 Q5NUL3 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
SCHEMBL4898242 0.81 CTSL (0.50) CTSLCTSBCTSSCTSKMYC
SCHEMBL4909305 0.81 ALDH1A1 (0.48) BACE1ALDH1A1TSHRSMN1; SMN2MYC
SCHEMBL4908412 0.81 ALDH1A1 (0.50) ALDH1A1TSHRSMN1; SMN2HPGDKDM4E
SCHEMBL4898316 0.80 CTSL (0.50) CTSLCTSBCTSSCTSKMYC
SCHEMBL4907483 0.79 ALDH1A1 (0.46) ALDH1A1TSHRSMN1; SMN2HPGDKDM4E
SCHEMBL4908034 0.79 BACE1 (0.47) BACE1ALDH1A1TSHRSMN1; SMN2MYC
SCHEMBL4908408 0.78 ALDH1A1 (0.42) ALDH1A1TSHRSMN1; SMN2HPGDKDM4E
SCHEMBL4907216 0.78 ALDH1A1 (0.46) ALDH1A1TSHRCTSSCTSKSMN1; SMN2
SCHEMBL4900982 0.77 ALDH1A1 (0.48) ALDH1A1TSHRSMN1; SMN2HPGDKDM4E
SCHEMBL4909720 0.75 MAPT (0.51) ALDH1A1TSHRSMN1; SMN2HPGDKDM4E

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 1662/4885TSHR 1074/4885

“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.