SCHEMBL21291391

SCHEMBL21291391

COC(=O)c1ccc(SCP)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.61
POLB P06746 1/20 0.61
ALDH1A1 P00352 4/20 0.60
MAPT P10636 3/20 0.59
VCAM1 P19320 1/20 0.54
APEX1 P27695 1/20 0.52
LMNA P02545 2/20 0.50
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL23768982 0.88 HPGD (0.63) HPGDPOLBALDH1A1MAPTVCAM1
SCHEMBL8102330 0.85 HPGD (0.60) HPGDPOLBALDH1A1MAPTVCAM1
SCHEMBL14476018 0.85 HPGD (0.67) HPGDPOLBALDH1A1MAPTVCAM1
SCHEMBL5917877 0.84 HPGD (0.66) HPGDPOLBALDH1A1MAPTVCAM1
SCHEMBL1995617 0.84 HPGD (0.59) HPGDPOLBALDH1A1MAPTVCAM1
SCHEMBL5300903 0.83 HPGD (0.58) HPGDPOLBALDH1A1MAPTVCAM1
SCHEMBL7357430 0.83 HPGD (0.64) HPGDPOLBALDH1A1MAPTVCAM1
SCHEMBL11973051 0.82 POLB (0.72) HPGDPOLBALDH1A1MAPTVCAM1
SCHEMBL8892679 0.81 HPGD (0.62) HPGDPOLBALDH1A1MAPTAPEX1
SCHEMBL8418979 0.81 HPGD (0.56) HPGDPOLBALDH1A1MAPTVCAM1

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-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2022-01-27 US disclosed
US-10987360-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2021-04-27 US disclosed
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2019-08-22 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 (3 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-10987360-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS HPGD 2902/4885POLB 1770/4885ALDH1A1 3992/4885
US-20190255067-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS HPGD 2902/4885POLB 1770/4885ALDH1A1 3992/4885
US-20220023311-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS HPGD 2902/4885POLB 1770/4885ALDH1A1 3992/4885

“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.