SCHEMBL23631588

SCHEMBL23631588

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

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 1/20 0.56
▸ PLG P00747 1/20 0.43
▸ PLAU P00749 1/20 0.43
▸ SLC6A2 P23975 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ AR P10275 1/20 0.40
▸ NTSR1 P30989 3/20 0.40
▸ TP53 P04637 1/20 0.39
▸ POLB P06746 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
SCHEMBL23631701 0.90 KRAS (0.46) KRASKMT2AALDH1A1HTTAR
SCHEMBL23631580 0.88 NTSR1 (0.51) KRASNTSR1
SCHEMBL3184801 0.86 KRAS (0.55) KRASPLGPLAUSLC6A2KMT2A
SCHEMBL23631591 0.81 NTSR1 (0.43) KRASKMT2AALDH1A1HTTNTSR1
SCHEMBL23631648 0.80 NTSR1 (0.60) KRASKMT2AALDH1A1HTTNTSR1
SCHEMBL13299389 0.79 KRAS (0.54) KRASPLGPLAUSLC6A2AR
SCHEMBL14876295 0.79 ATM (0.55) KRASPLGPLAUSLC6A2KMT2A
SCHEMBL23631640 0.78 KDM4E (0.51) KRASKMT2AALDH1A1HTTAR
SCHEMBL5591112 0.78 KRAS (0.52) KRASPLGPLAUSLC6A2AR
SCHEMBL6138108 0.76 KMT2A (0.69) KMT2AALDH1A1HTTNTSR1

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 KRAS 1973/4885PLG 582/4885PLAU 538/4885

“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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