SCHEMBL7901328

SCHEMBL7901328

[C-]#[N+]c1c(NN2C(=O)C=C(C)C2=O)nc(-c2ccc(OC)c(S(N)(=O)=O)c2)nc1SC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 8/20 0.38
RELA Q04206 10/20 0.38
JUN P05412 9/20 0.37
NFKB1 P19838 9/20 0.37
NFKB2 Q00653 9/20 0.37
IKBKB O14920 1/20 0.37
XPO1 O14980 1/20 0.37
CHUK O15111 1/20 0.37
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
FOS P01100 7/20 0.37
BRD4 O60885 1/20 0.34
ENPP3 O14638 1/20 0.34

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
SCHEMBL4788376 0.85 FLT3 (0.40) FLT3RELAJUNNFKB1NFKB2
SCHEMBL7899726 0.83 RELA (0.52) FLT3RELAJUNNFKB1NFKB2
SCHEMBL7899416 0.83 CA2 (0.40) CA12CA2CA9BRD4ENPP3
SCHEMBL7898166 0.81 FLT3 (0.46) FLT3RELAJUNNFKB1NFKB2
SCHEMBL7903279 0.80 FLT3 (0.46) FLT3RELAJUNNFKB1NFKB2
SCHEMBL7899907 0.80 FLT3 (0.47) FLT3RELAJUNNFKB1NFKB2
SCHEMBL7899874 0.80 FLT3 (0.46) FLT3RELAJUNNFKB1NFKB2
SCHEMBL7903012 0.80 RELA (0.41) FLT3RELAJUNNFKB1NFKB2
SCHEMBL7903252 0.79 FLT3 (0.45) FLT3RELAJUNNFKB1NFKB2
SCHEMBL7898409 0.79 CA12 (0.40) CA12CA2CA9BRD4ENPP3

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 FLT3 1941/4885RELA 1588/4885JUN 2091/4885

“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.