SCHEMBL26890594

SCHEMBL26890594

CC(=O)c1cc2n(n1)CCCN(S(=O)(=O)c1ccccc1[N+](=O)[O-])C2

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.54
▸ LMNA P02545 3/20 0.49
▸ PKM P14618 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ EPHX2 P34913 1/20 0.46
▸ POLB P06746 3/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL30502812 0.92 ALDH1A1 (0.54) ALDH1A1LMNAPKMMEN1KMT2A
SCHEMBL2519991 0.92 ALDH1A1 (0.54) ALDH1A1LMNAPKMMEN1KMT2A
SCHEMBL25433999 0.91 ALDH1A1 (0.53) ALDH1A1LMNAPKMMEN1KMT2A
SCHEMBL25434818 0.90 ALDH1A1 (0.50) ALDH1A1LMNAPKMMEN1KMT2A
SCHEMBL30502819 0.88 PKM (0.47) ALDH1A1LMNAPKMMEN1KMT2A
SCHEMBL2520783 0.88 PKM (0.47) ALDH1A1LMNAPKMMEN1KMT2A
SCHEMBL31217219 0.88 ALDH1A1 (0.47) ALDH1A1LMNAPKMMEN1KMT2A
SCHEMBL30502815 0.88 PKM (0.47) ALDH1A1LMNAPKMMEN1KMT2A
SCHEMBL25433441 0.84 ALDH1A1 (0.54) ALDH1A1LMNAPKMMEN1KMT2A
SCHEMBL25434397 0.83 ALDH1A1 (0.56) ALDH1A1LMNAPKMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912723-B2 KRAS modulators and uses thereof QUANTA THERAPEUTICS, INC. (US) 2024-02-27 — — US disclosed
US-20230374042-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. 2023-11-23 — — 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-20230374042-A1 KRAS MODULATORS AND USES THEREOF KRAS, NRAS, HRAS ALDH1A1 3733/4885LMNA 4214/4885PKM 2837/4885
US-11912723-B2 KRAS modulators and uses thereof KRAS, NRAS, HRAS ALDH1A1 3733/4885LMNA 4214/4885PKM 2837/4885

“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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