SCHEMBL23923878

SCHEMBL23923878

O=C(O)N(c1ccccc1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
PKM P14618 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HTT P42858 1/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 4/20 0.52
LMNA P02545 3/20 0.52
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
ALOX15 P16050 1/20 0.49
MGLL Q99685 1/20 0.48
NPC1 O15118 1/20 0.48
CASP3 P42574 1/20 0.48
RAB9A P51151 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
ATM Q13315 2/20 0.48
NFE2L2 Q16236 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL4587998 0.87 TP53 (0.50) ALDH1A1PKMKDM4EHTTTP53
SCHEMBL16879411 0.87 TSHR (0.53) ALDH1A1PKMKDM4EHTTTP53
SCHEMBL21247872 0.84 ALDH1A1 (0.67) ALDH1A1HTTLMNACES2CES1
SCHEMBL27779733 0.83 KMT2A (0.46) ALDH1A1PKMKDM4EHTTTP53
SCHEMBL10669701 0.83 NPSR1 (0.49) ALDH1A1PKMKDM4EHTTTP53
SCHEMBL9509458 0.82 TP53 (0.65) ALDH1A1HTTTP53TSHRCES2
SCHEMBL1461412 0.82 ALDH1A1 (0.45) ALDH1A1PKMKDM4EHTTTP53
SCHEMBL1461416 0.82 ALDH1A1 (0.45) ALDH1A1PKMKDM4EHTTTP53
SCHEMBL10882419 0.81 MGLL (0.56) ALDH1A1PKMKDM4EHTTTP53
SCHEMBL30883193 0.81 TSHR (0.57) ALDH1A1PKMKDM4EHTTTP53

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
EP-4110758-A1 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 Tes Pharma S.r.l. (IT) 2023-01-04 EP disclosed
US-20220213061-A9 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 TES PHARMA S.R.L. (IT) 2022-07-07 US disclosed
US-20210323942-A1 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 TES PHARMA S R L (IT) 2021-10-21 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 (2 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-20220213061-A9 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 NR2E3, NR2F2, NR2C2 ALDH1A1 2328/4885PKM 4230/4885KDM4E 2961/4885
US-20210323942-A1 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 NR2E3, NR2F2, NR2C2 ALDH1A1 2328/4885PKM 4230/4885KDM4E 2961/4885

“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.