SCHEMBL20137995

SCHEMBL20137995

Cc1cc(Br)nc([N+](=O)[O-])c1OC(C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
MAPT P10636 5/20 0.35
HTT P42858 3/20 0.35
POLB P06746 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL18305016 0.86 MAPT (0.39) TDP1TSHRMAPTHTTPOLB
SCHEMBL4288927 0.77 MAPT (0.39) TSHRMAPTHTTPOLBALDH1A1
SCHEMBL4288933 0.77 MAPT (0.39) TSHRMAPTHTTPOLBALDH1A1
SCHEMBL18304950 0.76 L3MBTL1 (0.47) TDP1TSHRHTR2AHTR2CHTR2B
SCHEMBL18304951 0.76 L3MBTL1 (0.47) TDP1TSHRHTR2AHTR2CHTR2B
SCHEMBL12958836 0.75 MAPT (0.39) MAPTHTTPOLBL3MBTL1ALDH1A1
SCHEMBL20138029 0.73 MAPT (0.48) TSHRMAPTHTTPOLBALDH1A1
SCHEMBL1812380 0.72 ALDH1A1 (0.41) TSHRMAPTHTTPOLBALDH1A1
SCHEMBL1807452 0.70 ALDH1A1 (0.43) TDP1MAPTHTTPOLBL3MBTL1
SCHEMBL18127980 0.70 AKR1C3 (0.36) TDP1TSHRHTR2AHTR2CHTR2B

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-10287299-B2 Substituted benzo[b][1,4]oxazines and pyrido[3,2-b][1,4]oxazines as modulators of tumor necrosis factor activity UCB BIOPHARMA SPRL (BE) 2019-05-14 US disclosed
US-20180134728-A1 Benzoxazinone Derivatives and Analogues Thereof as Modulators of TNF Activity UCB S.A. (BE) 2018-05-17 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 (2 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-20180134728-A1 Benzoxazinone Derivatives and Analogues Thereof as Modulators of TNF Activity TNF, NFKBIA, TNFRSF1A TDP1 341/4885TSHR 2169/4885HTR2A 224/4885
US-10287299-B2 Substituted benzo[b][1,4]oxazines and pyrido[3,2-b][1,4]oxazines as modulators of tumor necrosis factor activity TNF, TNFRSF1A, NFKBIA TDP1 414/4885TSHR 940/4885HTR2A 149/4885

“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.