SCHEMBL1654192

SCHEMBL1654192

N[C@@H](Cc1ccc(O)cc1)C(=O)Oc1cccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
SLC7A5 Q01650 1/20 0.43
MMP2 P08253 1/20 0.42
GPR35 Q9HC97 1/20 0.40
TYR P14679 1/20 0.38
HDAC8 Q9BY41 2/20 0.38
POLB P06746 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL1653001 0.83 GPR35 (0.43) ALDH1A1GPR35POLBTDP1L3MBTL1
SCHEMBL29653751 0.80 ALDH1A1 (0.48) ALDH1A1SLC7A5MMP2POLBSENP8
SCHEMBL30451723 0.80 ALDH1A1 (0.48) ALDH1A1SLC7A5MMP2POLBSENP8
SCHEMBL27781696 0.80 ALDH1A1 (0.48) ALDH1A1SLC7A5MMP2POLBSENP8
SCHEMBL1653846 0.79 GPR35 (0.39) ALDH1A1GPR35POLBL3MBTL1
SCHEMBL11220084 0.78 MMP2 (0.41) ALDH1A1MMP2GPR35L3MBTL1
SCHEMBL3031094 0.78 MMP2 (0.41) ALDH1A1MMP2GPR35L3MBTL1
SCHEMBL1653798 0.77 GPR35 (0.45) ALDH1A1GPR35POLBTDP1L3MBTL1
SCHEMBL7865835 0.77 KDM4A (0.47) ALDH1A1SLC7A5MMP2HDAC8
SCHEMBL28393254 0.77 KDM4A (0.47) ALDH1A1SLC7A5MMP2HDAC8

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-20110092557-A1 Neuraminidase Inhibitors And Compositions And Methods Related Thereto INFLUMEDIX INC. (US) 2011-04-21 US claimed
US-20110092557-A1 Neuraminidase Inhibitors And Compositions And Methods Related Thereto INFLUMEDIX INC. (US) 2011-04-21 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-20110092557-A1 Neuraminidase Inhibitors And Compositions And Methods Related Thereto NEU1, DAO, NEU3 ALDH1A1 2018/4885SLC7A5 1008/4885MMP2 164/4885

“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.