SCHEMBL31452289

SCHEMBL31452289

O=C1N[C@H]2[C@H](O)[C@H](O)[C@@H](O)C[C@@H]2c2cccc(O)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.35
HTR2C P28335 11/20 0.35
HTR2B P41595 11/20 0.35
MAPT P10636 3/20 0.32
ALOX15 P16050 3/20 0.32
HSD17B10 Q99714 3/20 0.32
TDP1 Q9NUW8 3/20 0.32
MEN1 O00255 2/20 0.32
USP2 O75604 2/20 0.32
THRB P10828 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
HPN P05981 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX5 P09917 1/20 0.32
PTGS1 P23219 1/20 0.32
PDE4A P27815 1/20 0.32
KDR P35968 1/20 0.32

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
SCHEMBL31452285 0.82 POLL (0.44) HTR2AHTR2CHTR2BMAPTHSD17B10
SCHEMBL31452292 0.73 HTR2A (0.35) HTR2AHTR2CHTR2BMAOAPOLB
SCHEMBL31452272 0.72 DYRK1A (0.38) HTR2AHTR2CHTR2BHSD17B10KMT2A
SCHEMBL14732744 0.69 CYP3A4 (0.48) CYP3A4POLBLMNA
SCHEMBL14732745 0.69 CYP3A4 (0.48) CYP3A4POLBLMNA
SCHEMBL31452313 0.66 METAP1 (0.36) MAPTALOX15MEN1USP2KMT2A
SCHEMBL13153860 0.65 PAX8 (0.45) HSD17B10ALDH1A1CYP3A4KDM4EGAA
SCHEMBL21161386 0.62 PIM1 (0.50) MAPTALOX15HSD17B10TDP1MEN1
SCHEMBL30960381 0.61 ALDH1A1 (0.40) HTR2AHTR2CHTR2BMAPTALOX15
SCHEMBL4740190 0.61 ALDH1A1 (0.40) HTR2AHTR2CHTR2BMAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250066306-A1 COMPOUNDS FOR TREATING MICROBIAL INFECTIONS, METHODS OF MAKING AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2025-02-27 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-20250066306-A1 COMPOUNDS FOR TREATING MICROBIAL INFECTIONS, METHODS OF MAKING AND USES THEREOF ATF4, ATF1, CGAS HTR2A 3864/4885HTR2C 3784/4885HTR2B 4215/4885

“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.