SCHEMBL29617484

SCHEMBL29617484

O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1OC(=O)N1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
LMNA P02545 4/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
ALDH1A1 P00352 3/20 0.58
NPC1 O15118 2/20 0.58
HTT P42858 2/20 0.58
RAB9A P51151 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
EGFR P00533 2/20 0.58
AURKA O14965 1/20 0.58
PDPK1 O15530 1/20 0.58
JAK2 O60674 1/20 0.58
GMNN O75496 1/20 0.58
TP53 P04637 1/20 0.58
CYP1A2 P05177 1/20 0.58
LYN P07948 1/20 0.58
CHRM2 P08172 1/20 0.58
CYP3A4 P08684 1/20 0.58
ADRA2A P08913 1/20 0.58

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
SCHEMBL29617477 0.92 MAPT (0.47) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL29617473 0.90 KCNMA1 (0.63) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL29617486 0.89 MEN1 (0.58) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL29617482 0.89 MEN1 (0.58) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL13189425 0.89 KMT2A (0.58) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL13189429 0.89 MEN1 (0.58) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL29617485 0.88 ALDH1A1 (0.49) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL26979927 0.86 LMNA (0.55) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL29617510 0.86 LMNA (0.55) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL19128750 0.85 CYP2D6 (0.55) MAPTLMNAMEN1KMT2AALDH1A1

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
WO-2022109148-A1 SMALL MOLECULE INHIBITORS OF SARS-COV-2 INFECTIONS THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2022-05-27 WO claimed
US-20240002332-A1 Small Molecule Inhibitors of SARS-CoV-2 Infections THE FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION 2024-01-04 US disclosed
WO-2022109148-A1 SMALL MOLECULE INHIBITORS OF SARS-COV-2 INFECTIONS THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2022-05-27 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-20240002332-A1 Small Molecule Inhibitors of SARS-CoV-2 Infections ACE2, ACE, TMPRSS2 MAPT 2694/4885LMNA 4211/4885MEN1 4741/4885

“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.