SCHEMBL29800323

SCHEMBL29800323

O=Cc1cccc(COc2cccc(O)c2[N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.44
MAOB P27338 9/20 0.44
MAOA P21397 8/20 0.44
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH5A1 P51649 1/20 0.40
ABAT P80404 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GPR35 Q9HC97 1/20 0.40
HPD P32754 2/20 0.40
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 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
SCHEMBL29800426 0.87 HPD (0.45) PTPN1MAOBMAOASMN1; SMN2ALDH5A1
SCHEMBL30318898 0.83 HPD (0.49) ALDH1A1MEN1KMT2AGPR35HPD
SCHEMBL1121791 0.83 HPD (0.49) ALDH1A1MEN1KMT2AGPR35HPD
SCHEMBL27765514 0.72 GPR35 (0.51) PTPN1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL23748560 0.72 CCNB2 (0.52) ALDH1A1SMN1; SMN2MEN1KMT2AHPD
SCHEMBL17560070 0.72 ALDH1A1 (0.61) MAOBMAOAALDH1A1MEN1KMT2A
SCHEMBL15013285 0.72 MAPT (0.55) ALDH1A1MEN1KMT2AHPDHTR1A
SCHEMBL18002426 0.72 SMN1; SMN2 (0.59) MAOBMAOAALDH1A1SMN1; SMN2MEN1
SCHEMBL29800420 0.71 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL18002412 0.70 MRGPRX4 (0.60) MAOBMAOAALDH1A1SMN1; SMN2MEN1

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-20250188092-A1 RIFAMYCIN ANALOGS THE PENN STATE RESEARCH FOUNDATION 2025-06-12 US disclosed
WO-2022159491-A1 RIFAMYCIN ANALOGS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-07-28 WO 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-20250188092-A1 RIFAMYCIN ANALOGS CYP3A4, CYP4B1, CYP2C9 PTPN1 4158/4885MAOB 1851/4885MAOA 1829/4885

“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.