SCHEMBL27042365

SCHEMBL27042365

COc1cc([N+](=O)[O-])cnc1-c1ncccn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KMT2A Q03164 7/20 0.44
▸ HTT P42858 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ APOBEC3A P31941 1/20 0.44
▸ APOBEC3G Q9HC16 1/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ LMNA P02545 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PDGFRB P09619 1/20 0.40
▸ PDGFRA P16234 1/20 0.40
▸ ALPL P05186 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL31501755 1.00 PKM (0.46) PKMMAPTKMT2AHTTALDH1A1
SCHEMBL29739398 0.81 MAPT (0.51) PKMMAPTKMT2AHTTALDH1A1
SCHEMBL30759891 0.80 ALDH1A1 (0.45) MAPTKMT2AHTTALDH1A1MEN1
SCHEMBL27042004 0.80 ALDH1A1 (0.45) MAPTKMT2AHTTALDH1A1MEN1
SCHEMBL31501735 0.78 ALDH1A1 (0.46) MAPTKMT2AHTTALDH1A1MEN1
SCHEMBL27042269 0.78 ALDH1A1 (0.46) MAPTKMT2AHTTALDH1A1MEN1
SCHEMBL2207311 0.76 HTT (0.50) PKMMAPTKMT2AHTTALDH1A1
SCHEMBL29865611 0.76 HTT (0.50) PKMMAPTKMT2AHTTALDH1A1
SCHEMBL6073752 0.74 HTT (0.49) PKMMAPTKMT2AHTTALDH1A1
SCHEMBL3648669 0.74 ERN1 (0.50) PKMMAPTKMT2AHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260049085-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. (US) 2026-02-19 — — US disclosed
EP-4558505-A2 CYCLIC COMPOUNDS AND METHODS OF USING SAME Schrödinger, Inc. (US) 2025-05-28 — — EP disclosed
WO-2024020534-A2 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. (US) 2024-01-25 — — 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-20260049085-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME CCR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MALT1 PKM 4382/4885MAPT 4875/4885KMT2A 4385/4885

“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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