SCHEMBL23978384

SCHEMBL23978384

O=C(C(=Cc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.63
NPSR1 Q6W5P4 1/20 0.63
MAOB P27338 1/20 0.59
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CES2 O00748 3/20 0.49
CES1 P23141 2/20 0.49
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HIF1A Q16665 1/20 0.48

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
SCHEMBL8464899 0.91 MAPT (0.61) MAPTNPSR1MAOBALDH1A1MEN1
SCHEMBL8464902 0.91 MAPT (0.61) MAPTNPSR1MAOBALDH1A1MEN1
SCHEMBL12111897 0.87 MAOB (0.59) MAPTNPSR1MAOBALDH1A1MEN1
SCHEMBL7829312 0.85 MAPT (0.69) MAPTNPSR1MAOBALDH1A1MEN1
SCHEMBL7829304 0.85 MAPT (0.69) MAPTNPSR1MAOBALDH1A1MEN1
SCHEMBL11797374 0.84 MAOB (0.56) MAPTNPSR1MAOBALDH1A1MEN1
SCHEMBL11797376 0.84 MAOB (0.56) MAPTNPSR1MAOBALDH1A1MEN1
SCHEMBL11523261 0.82 MAPT (0.54) MAPTNPSR1MAOBALDH1A1MEN1
SCHEMBL15876177 0.81 MAOB (0.59) MAPTNPSR1MAOBALDH1A1MEN1
SCHEMBL13090694 0.81 PKM (0.62) MAPTNPSR1MAOBALDH1A1MEN1

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-20210338694-A1 SOS1 ALLOSTERIC SITE TARGETING UNIVERSITY OF CINCINNATI 2021-11-04 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-20210338694-A1 SOS1 ALLOSTERIC SITE TARGETING SOS1, SOS2, SOST MAPT 4141/4885NPSR1 768/4885MAOB 4429/4885

“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.