SCHEMBL7899604

SCHEMBL7899604

[C-]#[N+]c1c(NN2C(=O)C(C)=C(C)C2=O)nc(-c2ccccc2)nc1SC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 2/20 0.40
PDE4B Q07343 2/20 0.38
FLT3 P36888 2/20 0.37
TP53 P04637 2/20 0.35
HPGD P15428 1/20 0.35
NR1I3 Q14994 1/20 0.34
ADORA3 P0DMS8 4/20 0.34
USP2 O75604 1/20 0.34
FOS P01100 1/20 0.34
JUN P05412 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
ABCG2 Q9UNQ0 3/20 0.34
ADORA1 P30542 2/20 0.34
ABCC1 P33527 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
SCHEMBL7892347 0.87 FOS (0.38) MEN1KMT2ATSHRPDE4BFLT3
SCHEMBL7891655 0.87 FLT3 (0.51) LMNAPOLBMEN1KMT2AFLT3
SCHEMBL4787157 0.80 ALDH1A1 (0.45) LMNAPOLBMEN1KMT2ATSHR
SCHEMBL7899634 0.78 MEN1 (0.45) LMNAPOLBMEN1KMT2ATSHR
SCHEMBL7898100 0.78 FOS (0.36) MEN1KMT2ATSHRFLT3TP53
SCHEMBL7899874 0.78 FLT3 (0.46) FLT3FOSJUNNFKB1NFKB2
SCHEMBL7903313 0.77 FLT3 (0.44) FLT3NR1I3FOSJUNNFKB1
SCHEMBL7899800 0.77 FOS (0.50) LMNAFLT3FOSJUNNFKB1
SCHEMBL7903252 0.77 FLT3 (0.45) FLT3FOSJUNNFKB1NFKB2
SCHEMBL7903292 0.76 POLB (0.42) LMNAPOLBMEN1KMT2ATSHR

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 LMNA 1220/4885POLB 1555/4885MEN1 1470/4885

“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.