SCHEMBL23363887

SCHEMBL23363887

COC(=O)c1nc(OC)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MAPT P10636 5/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 4/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ RAF1 P04049 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ PAX8 Q06710 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ PIM3 Q86V86 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ VCAM1 P19320 1/20 0.39
▸ MERTK Q12866 1/20 0.39

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
SCHEMBL28500044 0.82 L3MBTL1 (0.42) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL19814151 0.81 MERTK (0.44) MAPTALDH1A1LMNAMAPK1RAF1
SCHEMBL29757772 0.80 MERTK (0.43) MAPTALDH1A1LMNAMAPK1RAF1
SCHEMBL19814093 0.77 MERTK (0.41) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL23364116 0.77 GAA (0.46) KMT2AMAPTALDH1A1KDM4ENPSR1
SCHEMBL23363896 0.77 MERTK (0.41) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL29060204 0.77 MAPT (0.41) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL29662618 0.77 MAPT (0.41) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL28630505 0.75 PDGFRB (0.45) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL24241065 0.73 AR (0.42) KMT2AMAPTALDH1A1LMNAMAPK1

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-4058435-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2022-09-21 — — EP disclosed
US-20220281819-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2022-09-08 — — US disclosed
CN-114728905-A Therapeutic compounds and methods of use 基因泰克公司 2022-07-08 — — CN disclosed
WO-2021097110-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2021-05-20 — — WO disclosed
WO-2021097110-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2021-05-20 — — 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-20220281819-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE VHL, NQO1, PCSK9 MEN1 889/4885KMT2A 2487/4885MAPT 266/4885

“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.

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