SCHEMBL7940937

SCHEMBL7940937

NC(CCCCCc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 4/20 0.51
GRM4 Q14833 4/20 0.51
GRM6 O15303 2/20 0.51
TSHR P16473 1/20 0.49
ANPEP P15144 1/20 0.47
ERAP2 Q6P179 1/20 0.47
ERAP1 Q9NZ08 1/20 0.47
KCNJ1 P48048 2/20 0.47
MC4R P32245 1/20 0.46
SIGMAR1 Q99720 2/20 0.46
KCNH2 Q12809 2/20 0.46
GRIK1 P39086 1/20 0.45
GRIK2 Q13002 1/20 0.45
EPHX1 P07099 1/20 0.44
MMP2 P08253 1/20 0.44

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
SCHEMBL3124322 0.94 GRM8 (0.53) GRM8GRM4GRM6TSHRANPEP
SCHEMBL8092467 0.88 GRM8 (0.56) GRM8GRM4GRM6TSHRANPEP
SCHEMBL7358695 0.88 GRM8 (0.56) GRM8GRM4GRM6TSHRANPEP
SCHEMBL18022818 0.84 EPHX1 (0.49) TSHRKCNH2EPHX1MMP2
SCHEMBL18112674 0.81 KCNH2 (0.54) TSHRANPEPERAP2ERAP1MC4R
SCHEMBL7943007 0.81 TSHR (0.54) TSHRKCNJ1SIGMAR1KCNH2
SCHEMBL7318930 0.81 ALDH1A1 (0.47) TSHRKCNJ1SIGMAR1KCNH2
SCHEMBL24816430 0.80 GRIK1 (0.64) GRIK1
SCHEMBL3664379 0.80 GRIK1 (0.64) GRIK1
SCHEMBL17686506 0.80 GRIK1 (0.64) GRIK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160235870-A1 MULTIFUNCTIONAL CHELATORS, COMPLEXES, AND COMPOSITIONS THEREOF, AND METHODS OF USING SAME ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2016-08-18 US disclosed
WO-2010011367-A2 BIMODAL LIGANDS WITH MACROCYCLIC AND ACYCLIC BINDING MOIETIES, COMPLEXES AND COMPOSITIONS THEREOF, AND METHODS OF USING ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2010-01-28 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-20160235870-A1 MULTIFUNCTIONAL CHELATORS, COMPLEXES, AND COMPOSITIONS THEREOF, AND METHODS OF USING SAME FECH, SLC40A1, TFRC GRM8 4174/4885GRM4 4074/4885GRM6 4081/4885

“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.