SCHEMBL1554426

SCHEMBL1554426

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.63
KCNMA1 Q12791 1/20 0.52
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
CDK2 P24941 1/20 0.48
POLB P06746 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
DDX3X O00571 1/20 0.47
ASPH Q12797 1/20 0.47
KDM8 Q8N371 1/20 0.47

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
SCHEMBL11138425 0.87 TSHR (0.55) TSHRKCNMA1TDP1L3MBTL1MEN1
SCHEMBL5110430 0.87 TSHR (0.59) TSHRKCNMA1TDP1L3MBTL1MEN1
SCHEMBL305239 0.83 TSHR (0.63) TSHRKCNMA1TDP1L3MBTL1MEN1
SCHEMBL28102854 0.83 TSHR (0.51) TSHRKCNMA1TDP1L3MBTL1MEN1
Hydrochloric Acid SCHEMBL7418132 0.82 TSHR (0.61) TSHRKCNMA1TDP1L3MBTL1MEN1
SCHEMBL7253753 0.81 KCNMA1 (0.57) TSHRKCNMA1TDP1L3MBTL1MEN1
SCHEMBL7253758 0.81 KCNMA1 (0.57) TSHRKCNMA1TDP1L3MBTL1MEN1
SCHEMBL4609558 0.81 ALDH1A1 (0.54) TSHRKCNMA1L3MBTL1MEN1KMT2A
SCHEMBL11522358 0.81 TSHR (0.49) TSHRKCNMA1TDP1L3MBTL1MEN1
SCHEMBL11522354 0.81 TSHR (0.49) TSHRKCNMA1L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2486040-B1 AUTOMATED RADIOSYNTHESIS GE HEALTHCARE LTD (GB) 2017-06-21 EP disclosed
US-8946410-B2 Automated radiosynthesis GE HEALTHCARE LIMITED (GB) 2015-02-03 US disclosed
EP-2486040-A1 AUTOMATED RADIOSYNTHESIS GE Healthcare Limited (GB) 2012-08-15 EP disclosed
US-20120190843-A1 AUTOMATED RADIOSYNTHESIS GE HEALTHCARE LIMITED (GB) 2012-07-26 US disclosed
WO-2011042529-A1 AUTOMATED RADIOSYNTHESIS GE HEALTHCARE LIMITED (GB) 2011-04-14 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-20120190843-A1 AUTOMATED RADIOSYNTHESIS GABRB2, GABRB3, GABRR2 TSHR 174/4885KCNMA1 1719/4885TDP1 2320/4885

“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.