SCHEMBL26458926

SCHEMBL26458926

O=C1/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC(=S)N1Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 16/20 1.00
▸ KMT2A Q03164 16/20 1.00
▸ MAPK1 P28482 6/20 1.00
▸ MAPT P10636 5/20 1.00
▸ ALDH1A1 P00352 4/20 1.00
▸ HTT P42858 1/20 1.00
▸ SMN1; SMN2 Q16637 1/20 1.00
▸ POLB P06746 11/20 0.75
▸ HSP90AA1 P07900 4/20 0.75
▸ CASP3 P42574 2/20 0.75
▸ SENP8 Q96LD8 2/20 0.75
▸ SENP7 Q9BQF6 2/20 0.75
▸ SENP6 Q9GZR1 2/20 0.75
▸ GAA P10253 2/20 0.75
▸ NOD2 Q9HC29 2/20 0.67
▸ L3MBTL1 Q9Y468 2/20 0.67
▸ TDP1 Q9NUW8 2/20 0.67
▸ CRHBP P24387 1/20 0.67
▸ CRHR2 Q13324 1/20 0.67
▸ ATM Q13315 2/20 0.66

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
SCHEMBL12008539 0.84 KMT2A (0.72) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL17762653 0.82 MEN1 (0.70) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL23752553 0.80 MEN1 (1.00) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL23752554 0.80 MEN1 (1.00) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL12010971 0.80 MEN1 (1.00) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL5459723 0.80 MEN1 (0.87) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL5459720 0.80 MEN1 (0.87) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL18103056 0.79 MEN1 (1.00) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL2080496 0.78 MEN1 (0.82) MEN1KMT2AMAPK1MAPTALDH1A1
SCHEMBL2080494 0.78 MEN1 (0.82) MEN1KMT2AMAPK1MAPTALDH1A1

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-20230364057-A1 BACTERIAL DNA GYRASE INHIBITORS AND METHODS OF USE THEREOF UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. 2023-11-16 — — US disclosed
US-20230136466-A1 BACTERIAL DNA GYRASE INHIBITORS AND METHODS OF USE THEREOF THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2023-05-04 — — 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-20230364057-A1 BACTERIAL DNA GYRASE INHIBITORS AND METHODS OF USE THEREOF TOP1, DNA2, TOP2A MEN1 4457/4885KMT2A 2037/4885MAPK1 2960/4885
US-20230136466-A1 BACTERIAL DNA GYRASE INHIBITORS AND METHODS OF USE THEREOF TOP1, DNA2, TOP2A MEN1 4457/4885KMT2A 2037/4885MAPK1 2960/4885

“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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