SCHEMBL23066567

SCHEMBL23066567

[Li]c1c([N+](=O)[O-])cnn1C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ GAA P10253 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL6970538 0.78 MEN1 (0.49) PKMMEN1KMT2AGAAKDM4E
SCHEMBL28969335 0.78 MEN1 (0.46) PKMMEN1KMT2AGAAKDM4E
SCHEMBL8385965 0.78 MEN1 (0.44) PKMMEN1KMT2AGAAKDM4E
SCHEMBL18418870 0.77 PKM (0.42) PKMMEN1KMT2AGAAKDM4E
SCHEMBL2521727 0.76 MEN1 (0.48) PKMMEN1KMT2AGAAKDM4E
SCHEMBL14800866 0.76 MEN1 (0.43) PKMMEN1KMT2AGAAKDM4E
SCHEMBL18366033 0.76 POLB (0.43) PKMMEN1KMT2AGAAKDM4E
SCHEMBL27849208 0.76 PKM (0.41) PKMMEN1KMT2AGAAKDM4E
SCHEMBL31319739 0.76 PKM (0.41) PKMMEN1KMT2AGAAKDM4E
SCHEMBL5106132 0.73 KDM4E (0.43) PKMMEN1KMT2AGAAKDM4E

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
CN-114341134-B Process for preparing a medicament comprising an epoxyhexane ring 豪夫迈·罗氏有限公司 2024-03-08 — — CN disclosed
EP-4028396-B1 PROCESS FOR THE PREPARATION OF A MEDICAMENT CONTAINING AN OXEPANE RING. HOFFMANN LA ROCHE (CH) 2024-01-03 — — EP disclosed
US-11414412-B2 Process for the preparation of a medicament GENENTECH, INC. 2022-08-16 — — US disclosed
CN-114341134-A Process for the preparation of medicaments comprising an epoxyhexane ring 豪夫迈·罗氏有限公司 2022-04-12 — — CN disclosed
US-20210070749-A1 PROCESS FOR THE PREPARATION OF A MEDICAMENT GENENTECH, INC. (US) 2021-03-11 — — 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-20210070749-A1 PROCESS FOR THE PREPARATION OF A MEDICAMENT NEFM, ADRM1, TPMT PKM 769/4885MEN1 2761/4885KMT2A 3288/4885
US-11414412-B2 Process for the preparation of a medicament HNMT, MLNR, SLC10A2 PKM 1074/4885MEN1 469/4885KMT2A 254/4885

“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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