SCHEMBL789918

SCHEMBL789918

O=[N+]([O-])c1cc2c(cc1F)OCO2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
POLB P06746 2/20 0.62
MCL1 Q07820 1/20 0.62
SRC P12931 1/20 0.51
TXNRD1 Q16881 1/20 0.50
TXNRD3 Q86VQ6 1/20 0.50
TXNRD2 Q9NNW7 1/20 0.50
ALDH1A1 P00352 7/20 0.47
TDP1 Q9NUW8 3/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ATM Q13315 1/20 0.46

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
SCHEMBL19776107 0.89 MAPT (0.62) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL718255 0.86 MAPT (0.74) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL9471765 0.78 MAPT (0.65) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL9471773 0.78 MAPT (0.65) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL11177694 0.78 SRC (0.60) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL27171553 0.77 MAPT (0.40) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL123842 0.77 MAPT (0.62) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL4126863 0.77 MAPT (0.62) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL20505550 0.77 MAPT (0.68) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL608096 0.77 MAPT (0.62) MAPTMEN1KMT2AL3MBTL1POLB

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
US-11639355-B2 Substituted pyrrolo[3,4-d]imidazoles as MDM2-p53 inhibitors Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) 2023-05-02 US disclosed
WO-2012037349-A2 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
WO-2012037349-A2 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
WO-2012037351-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
WO-2012037351-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-03-22 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-11639355-B2 Substituted pyrrolo[3,4-d]imidazoles as MDM2-p53 inhibitors TP53, MDM2, TP53BP1 MAPT 2212/4885MEN1 2715/4885KMT2A 4097/4885

“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.