SCHEMBL1297407

SCHEMBL1297407

CCC1(CC)c2cc(Br)c(Br)c(C)c2C(CC)(CC)N1Cc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
KMT2A Q03164 2/20 0.34
ELANE P08246 1/20 0.33
P2RX7 Q99572 3/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 2/20 0.32
MAPK14 Q16539 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.30
GRM2 Q14416 1/20 0.30
MEN1 O00255 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL1298596 0.75 ELANE (0.41) LMNAKMT2AELANENPSR1POLB
SCHEMBL1297947 0.75 ELANE (0.46) LMNAELANEP2RX7NPSR1POLB
SCHEMBL1298539 0.75 SIGMAR1 (0.41) LMNAKMT2AELANEMAPTNPSR1
SCHEMBL12104407 0.73 SIGMAR1 (0.40) LMNAKMT2AELANEMAPTNPSR1
SCHEMBL1297404 0.72 ELANE (0.38) ELANENPSR1TSHRSIGMAR1
SCHEMBL1297880 0.69 ELANE (0.38) LMNAKMT2AELANEP2RX7MAPT
SCHEMBL1297405 0.68 ELANE (0.35) ELANENPSR1
SCHEMBL1297885 0.65 ELANE (0.35) LMNAKMT2AELANEP2RX7NPSR1
SCHEMBL3372286 0.64 ACP3 (0.38) KMT2AELANENPSR1TSHRMEN1
SCHEMBL3372280 0.64 ELANE (0.37) ELANENPSR1

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
US-20110269716-A1 ANTIOXIDANT COMPOUNDS AND METHODS OF THEIR USE QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) 2011-11-03 US disclosed
EP-2344454-A1 ANTIOXIDANT COMPOUNDS AND METHODS OF THEIR USE Queensland University Of Technology (AU) 2011-07-20 EP disclosed
WO-2010037172-A1 ANTIOXIDANT COMPOUNDS AND METHODS OF THEIR USE QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) 2010-04-08 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-20110269716-A1 ANTIOXIDANT COMPOUNDS AND METHODS OF THEIR USE NQO1, NFE2L2, GPX4 LMNA 1217/4885KMT2A 4142/4885ELANE 478/4885

“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.