SCHEMBL4245567

SCHEMBL4245567

Nc1c(C(=O)O)cccc1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
DDX3X O00571 1/20 0.48
CTSD P07339 1/20 0.47
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CASP6 P55212 2/20 0.46
G6PD P11413 1/20 0.46
CASP7 P55210 1/20 0.46
EIF4E P06730 1/20 0.45
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43

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
SCHEMBL162559 0.85 TSHR (0.64) TSHRALDH1A1TDP1MAPTLMNA
SCHEMBL4439669 0.85 TSHR (0.59) TSHRALDH1A1TDP1MAPTLMNA
SCHEMBL29120749 0.83 MAPT (0.57) TSHRALDH1A1TDP1MAPTLMNA
SCHEMBL1509448 0.83 TSHR (0.62) TSHRALDH1A1TDP1MAPTLMNA
SCHEMBL28935981 0.83 TSHR (0.62) TSHRALDH1A1TDP1MAPTLMNA
SCHEMBL1509450 0.83 TSHR (0.62) TSHRALDH1A1TDP1MAPTLMNA
Hydrochloric Acid SCHEMBL27908306 0.83 TSHR (0.62) TSHRALDH1A1TDP1MAPTLMNA
SCHEMBL15741933 0.83 TSHR (0.54) TSHRALDH1A1TDP1MAPTLMNA
SCHEMBL16937116 0.81 TDP1 (0.57) TSHRALDH1A1TDP1MAPTGAA
SCHEMBL2885196 0.81 TSHR (0.73) TSHRALDH1A1TDP1MAPTLMNA

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-20090131527-A1 NOVEL ANTHRANILIC ACID DERIVATIVES AND CHLORIDE CHANNEL BLOCKING AGENT CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-05-21 US claimed
US-20090131527-A1 NOVEL ANTHRANILIC ACID DERIVATIVES AND CHLORIDE CHANNEL BLOCKING AGENT CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-05-21 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-20090131527-A1 NOVEL ANTHRANILIC ACID DERIVATIVES AND CHLORIDE CHANNEL BLOCKING AGENT CONTAINING THE SAME CLIC1, ASIC1, CLIC4 TSHR 3762/4885ALDH1A1 1179/4885TDP1 4816/4885

“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.