SCHEMBL14200086

SCHEMBL14200086

CC(C)(C)c1cccc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
TDP1 Q9NUW8 4/20 0.44
TSHR P16473 4/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
MEN1 O00255 1/20 0.38
GALR3 O60755 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CA2 P00918 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37

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
SCHEMBL10924079 0.82 NPSR1 (0.40) ALDH1A1TDP1TSHRGRIN2DGRIN3B
SCHEMBL31285851 0.81 EPAS1 (0.46) ALDH1A1TDP1TSHRGRIN2DGRIN3B
SCHEMBL6429 0.81 EPAS1 (0.46) ALDH1A1TDP1TSHRGRIN2DGRIN3B
SCHEMBL670917 0.80 TSHR (0.58) ALDH1A1TDP1TSHRGRIN2DGRIN3B
SCHEMBL2884800 0.79 TDP1 (0.67) ALDH1A1TDP1TSHRMEN1GALR3
SCHEMBL10979000 0.79 TSHR (0.58) ALDH1A1TDP1TSHRMEN1GALR3
SCHEMBL16959731 0.78 TDP1 (0.44) ALDH1A1TDP1TSHRMEN1GALR3
SCHEMBL16174887 0.78 TSHR (0.44) ALDH1A1TDP1TSHRGRIN2DGRIN3B
SCHEMBL16962392 0.75 ALDH1A1 (0.41) ALDH1A1TDP1TSHRMEN1GALR3
SCHEMBL541489 0.75 TDP1 (0.72) ALDH1A1TDP1TSHRGRIN2DGRIN3B

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-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 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-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 ALDH1A1 2289/4885TDP1 4683/4885TSHR 508/4885

“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.