SCHEMBL29617475

SCHEMBL29617475

O=C(Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.63
LMNA P02545 6/20 0.63
MEN1 O00255 6/20 0.63
KMT2A Q03164 6/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
RAB9A P51151 4/20 0.63
ALDH1A1 P00352 4/20 0.63
NPC1 O15118 3/20 0.63
MAPK1 P28482 3/20 0.63
HTT P42858 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
TP53 P04637 2/20 0.63
CYP1A2 P05177 2/20 0.63
CYP3A4 P08684 2/20 0.63
CYP2D6 P10635 2/20 0.63
CYP2C9 P11712 2/20 0.63
PKM P14618 2/20 0.63
TSHR P16473 2/20 0.63
CYP2C19 P33261 2/20 0.63
THPO P40225 2/20 0.63

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
SCHEMBL3793561 1.00 MAPT (0.63) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL13189728 0.91 KMT2A (0.65) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL13189729 0.91 KMT2A (0.62) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL19146118 0.90 SMN1; SMN2 (0.61) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL29617507 0.88 NPC1 (0.58) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL24362462 0.85 MAPT (0.68) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL29617508 0.85 MAPT (0.70) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL2700294 0.85 MAPT (0.70) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL19145725 0.84 KMT2A (0.59) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL18341230 0.84 MAPT (0.67) MAPTLMNAMEN1KMT2ASMN1; SMN2

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
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

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.