SCHEMBL23147201

SCHEMBL23147201

CCOC(=O)C(C(=O)OCC)c1ncc([N+](=O)[O-])cc1OC

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.45
▸ ALDH1A1 P00352 6/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ POLB P06746 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ HTT P42858 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HPGD P15428 1/20 0.41

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
SCHEMBL3580938 0.83 MAPT (0.46) MAPTALDH1A1KMT2APOLBGLA
SCHEMBL13728103 0.83 MAPT (0.46) MAPTALDH1A1KMT2APOLBGLA
SCHEMBL8771567 0.83 KMT2A (0.50) MAPTALDH1A1KMT2APOLBGLA
SCHEMBL22556903 0.83 ALDH1A1 (0.43) MAPTALDH1A1KMT2ACRHBPCRHR2
SCHEMBL28661618 0.80 PKM (0.47) MAPTALDH1A1KMT2AGLAHTT
SCHEMBL20568542 0.80 ALDH1A1 (0.49) MAPTALDH1A1KMT2APOLBGLA
SCHEMBL29180861 0.80 MAPT (0.45) MAPTALDH1A1KMT2APOLBGLA
SCHEMBL23146879 0.79 DPP4 (0.40) MAPTALDH1A1KMT2APOLBMEN1
SCHEMBL16522671 0.76 KMT2A (0.47) MAPTALDH1A1KMT2APOLBGLA
SCHEMBL1626031 0.76 ALDH1A1 (0.51) MAPTALDH1A1KMT2ACRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12371428-B2 Pyridone compounds and methods of use EXELIXIS, INC. (US) 2025-07-29 — — US disclosed
US-20220315579-A1 PYRIDONE COMPOUNDS AND METHODS OF USE EXELIXIS, INC. 2022-10-06 — — US disclosed
EP-4034532-A1 PYRIDONE COMPOUNDS AND METHODS OF USE IN THE MODULATION OF A PROTEIN KINASE Exelixis, Inc. (US) 2022-08-03 — — EP disclosed
WO-2021062245-A1 PYRIDONE COMPOUNDS AND METHODS OF USE IN THE MODULATION OF A PROTEIN KINASE EXELIXIS, INC. (US) 2021-04-01 — — 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 (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-12371428-B2 Pyridone compounds and methods of use PDXK, PLK2, MAP4K2 MAPT 2493/4885ALDH1A1 4282/4885KMT2A 3773/4885
US-20220315579-A1 PYRIDONE COMPOUNDS AND METHODS OF USE PDXK, PLK2, MAP4K2 MAPT 2493/4885ALDH1A1 4282/4885KMT2A 3773/4885

“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.

Send feedback