SCHEMBL7903012

SCHEMBL7903012

[C-]#[N+]c1c(NN2C(=O)C=C(C)C2=O)nc(-c2c(OC)cc(OC)cc2OC)nc1SC

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RELA Q04206 9/20 0.41
JUN P05412 8/20 0.41
NFKB1 P19838 8/20 0.41
NFKB2 Q00653 8/20 0.41
FLT3 P36888 10/20 0.40
XPO1 O14980 3/20 0.40
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
FOS P01100 6/20 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
SCHEMBL7899726 0.85 RELA (0.52) RELAJUNNFKB1NFKB2FLT3
SCHEMBL7903279 0.84 FLT3 (0.46) RELAJUNNFKB1NFKB2FLT3
SCHEMBL4788808 0.83 RELA (0.41) RELAJUNNFKB1NFKB2FLT3
SCHEMBL7901328 0.80 FLT3 (0.38) RELAJUNNFKB1NFKB2FLT3
SCHEMBL7901486 0.79 FOS (0.42) RELAJUNNFKB1NFKB2FLT3
SCHEMBL7898166 0.79 FLT3 (0.46) RELAJUNNFKB1NFKB2FLT3
SCHEMBL7891655 0.79 FLT3 (0.51) RELAJUNNFKB1NFKB2FLT3
SCHEMBL7899874 0.78 FLT3 (0.46) RELAJUNNFKB1NFKB2FLT3
SCHEMBL7903313 0.77 FLT3 (0.44) RELAJUNNFKB1NFKB2FLT3
SCHEMBL7899800 0.77 FOS (0.50) RELAJUNNFKB1NFKB2FLT3

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 RELA 1588/4885JUN 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.