SCHEMBL2486973

SCHEMBL2486973

Cc1cccc([N+](=O)[O-])c1.Cc1cccc([N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 1.00
ACHE P22303 2/20 1.00
LMNA P02545 2/20 0.70
NFE2L2 Q16236 1/20 0.58
ALDH1A1 P00352 6/20 0.57
TDP1 Q9NUW8 2/20 0.57
ALOX15 P16050 1/20 0.57
HSP90AA1 P07900 1/20 0.55
HSD17B10 Q99714 1/20 0.54
GAA P10253 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
TP53 P04637 1/20 0.52
NPC1 O15118 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL31183022 1.00 TSHR (1.00) TSHRACHELMNANFE2L2ALDH1A1
SCHEMBL92055 1.00 TSHR (1.00) TSHRACHELMNANFE2L2ALDH1A1
Fluoride SCHEMBL27720375 0.98 TSHR (0.96) TSHRACHELMNANFE2L2ALDH1A1
Hydrochloric Acid SCHEMBL11149191 0.98 TSHR (0.96) TSHRACHELMNANFE2L2ALDH1A1
Methane SCHEMBL27860742 0.98 TSHR (0.96) TSHRACHELMNANFE2L2ALDH1A1
SCHEMBL32667964 0.98 TSHR (0.96) TSHRACHELMNANFE2L2ALDH1A1
SCHEMBL9734192 0.98 TSHR (0.96) TSHRACHELMNANFE2L2ALDH1A1
SCHEMBL9734443 0.98 TSHR (0.96) TSHRACHELMNANFE2L2ALDH1A1
Bromide SCHEMBL27319679 0.98 TSHR (0.96) TSHRACHELMNANFE2L2ALDH1A1
Ammonia Solution, Strong SCHEMBL27653572 0.98 TSHR (0.96) TSHRACHELMNANFE2L2ALDH1A1

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-20110224463-A1 MODULAR REACTOR AUROTEC GMBH (AT) 2011-09-15 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-20110224463-A1 MODULAR REACTOR IMMT, POLRMT, RRS1 TSHR 552/4885ACHE 430/4885LMNA 4345/4885

“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.