SCHEMBL23924322

SCHEMBL23924322

O=C(O)N1C[C@H](c2ccccc2)[C@@H]([N+](=O)[O-])C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.41
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
KDM1A O60341 1/20 0.36
KMT2A Q03164 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
TLR2 O60603 1/20 0.35
TLR1 Q15399 1/20 0.35
CCR5 P51681 1/20 0.35
HDAC4 P56524 1/20 0.35
HRH3 Q9Y5N1 3/20 0.35
RORC P51449 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL23924324 1.00 PDE4B (0.41) PDE4BNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL528421 0.85 PDE4B (0.41) PDE4BALDH1A1MAPTHPGDKDM1A
SCHEMBL528422 0.85 PDE4B (0.41) PDE4BALDH1A1MAPTHPGDKDM1A
SCHEMBL28932981 0.81 RORC (0.58) PDE4BALDH1A1MAPTRORC
SCHEMBL6127033 0.75 MYC (0.49) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL23923863 0.75 MYC (0.49) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL6127038 0.75 MYC (0.49) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL15716390 0.73 KDM4E (0.49) ALDH1A1MAPTHPGDKDM1A
SCHEMBL29900799 0.73 TLR2 (0.48) ALDH1A1KMT2ASIGMAR1TLR2TLR1
SCHEMBL20187188 0.73 KDM4E (0.49) ALDH1A1MAPTHPGDKDM1A

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
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 PDE4B 2677/4885NPC1 745/4885RAB9A 3317/4885
US-20210323942-A1 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 NR2E3, NR2F2, NR2C2 PDE4B 2677/4885NPC1 745/4885RAB9A 3317/4885

“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.