SCHEMBL7898100

SCHEMBL7898100

[C-]#[N+]c1c(NN2C(=O)C(Cl)=C(Cl)C2=O)nc(-c2ccc(OC)cc2)nc1SC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOS P01100 1/20 0.36
JUN P05412 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SYK P43405 2/20 0.34
TSHR P16473 3/20 0.34
RAB9A P51151 3/20 0.34
KMT2A Q03164 3/20 0.34
HSD17B10 Q99714 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
KDR P35968 1/20 0.34
MAPT P10636 2/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
LIPE Q05469 1/20 0.33
ABCG2 Q9UNQ0 3/20 0.33
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL7892347 0.91 FOS (0.38) FOSJUNNFKB1NFKB2RELA
SCHEMBL7898324 0.87 POLB (0.41) FOSJUNNFKB1NFKB2RELA
SCHEMBL7899726 0.85 RELA (0.52) FOSJUNNFKB1NFKB2RELA
SCHEMBL4786404 0.82 ALDH1A1 (0.47) FOSJUNNFKB1NFKB2RELA
SCHEMBL7900197 0.79 SYK (0.40) SYKTSHRRAB9AKMT2AHSD17B10
SCHEMBL7899604 0.78 LMNA (0.41) FOSJUNNFKB1NFKB2RELA
SCHEMBL7899800 0.77 FOS (0.50) FOSJUNNFKB1NFKB2RELA
SCHEMBL7898166 0.74 FLT3 (0.46) FOSJUNNFKB1NFKB2RELA
SCHEMBL7899874 0.73 FLT3 (0.46) FOSJUNNFKB1NFKB2RELA
SCHEMBL7903252 0.73 FLT3 (0.45) FOSJUNNFKB1NFKB2RELA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221103-A1 New heterocyclic compounds ORCHID RESEARCH LABORATORIES LTD. (IN) 2008-09-11 US 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-20080221103-A1 New heterocyclic compounds LOXL4, CXCR4, LTC4S FOS 1166/4885JUN 2091/4885NFKB1 1290/4885

“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.