SCHEMBL1297404

SCHEMBL1297404

CCC1(CC)c2cc(CBr)c(CBr)cc2C(CC)(CC)N1Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.38
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TRPA1 O75762 1/20 0.35
CYP2C19 P33261 3/20 0.33
SIGMAR1 Q99720 1/20 0.32
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
MC4R P32245 1/20 0.31
F2 P00734 1/20 0.31
PLG P00747 1/20 0.31
CTSG P08311 1/20 0.31
CMA1 P23946 1/20 0.31
CTRC Q99895 1/20 0.31

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
SCHEMBL1297880 0.84 ELANE (0.38) ELANENPSR1TSHRALDH1A1CYP2C19
SCHEMBL1298596 0.82 ELANE (0.41) ELANENPSR1TSHRALDH1A1CYP2C19
SCHEMBL1297947 0.81 ELANE (0.46) ELANENPSR1ALDH1A1CYP2C19SIGMAR1
SCHEMBL12104407 0.80 SIGMAR1 (0.40) ELANENPSR1ALDH1A1SIGMAR1TP53
SCHEMBL3372280 0.79 ELANE (0.37) ELANENPSR1TP53
SCHEMBL1298539 0.78 SIGMAR1 (0.41) ELANENPSR1TSHRALDH1A1SIGMAR1
SCHEMBL12104392 0.77 ELANE (0.36) ELANENPSR1TSHRALDH1A1CYP2C19
SCHEMBL1297405 0.77 ELANE (0.35) ELANENPSR1CYP2C19
SCHEMBL1297885 0.74 ELANE (0.35) ELANENPSR1TSHRALDH1A1CYP2C19
SCHEMBL3372286 0.73 ACP3 (0.38) ELANENPSR1TSHRALDH1A1

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 4 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
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 ELANE 478/4885NPSR1 2259/4885TSHR 4251/4885

“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.