SCHEMBL23631580

SCHEMBL23631580

O=C(O)CNC(=O)Cn1ccc2cc(-c3cccc([N+](=O)[O-])c3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 10/20 0.51
▸ KRAS P01116 1/20 0.46
▸ SERPINE1 P05121 2/20 0.45
▸ HDAC2 Q92769 1/20 0.42
▸ MME P08473 1/20 0.42
▸ ACHE P22303 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ L3MBTL1 Q9Y468 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
SCHEMBL23631591 0.92 NTSR1 (0.43) NTSR1KRASHDAC2MMEACHE
SCHEMBL23631588 0.88 KRAS (0.56) NTSR1KRAS
SCHEMBL23631701 0.81 KRAS (0.46) KRASPKMSMN1; SMN2L3MBTL1
SCHEMBL23631632 0.77 NTSR1 (0.67) NTSR1
SCHEMBL23631570 0.76 KDM4E (0.52) NTSR1SMN1; SMN2
SCHEMBL23631647 0.75 NTSR1 (0.68) NTSR1
SCHEMBL3184801 0.74 KRAS (0.55) KRAS
SCHEMBL23631648 0.74 NTSR1 (0.60) NTSR1KRASPKM
SCHEMBL23631593 0.73 KDM4E (0.49) NTSR1SMN1; SMN2
SCHEMBL6138108 0.73 KMT2A (0.69) NTSR1

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-20210214359-A1 Compounds and Methods for Treating Bacterial Infections UNIV NEW YORK (US) 2021-07-15 — — US claimed
US-20210214359-A1 Compounds and Methods for Treating Bacterial Infections UNIV NEW YORK (US) 2021-07-15 — — US disclosed
US-20210214359-A1 Compounds and Methods for Treating Bacterial Infections UNIV NEW YORK (US) 2021-07-15 — — 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 (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-20210214359-A1 Compounds and Methods for Treating Bacterial Infections CBS, MPO, QSOX1 NTSR1 2656/4885KRAS 1973/4885SERPINE1 1401/4885

“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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