SCHEMBL23923853

SCHEMBL23923853

O=C(Nc1cc2ccccc2cn1)[C@H]1CN(C(=O)O)C[C@@H]1c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 14/20 0.48
DEGS1 O15121 1/20 0.47
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ROCK2 O75116 1/20 0.41
TLR2 O60603 1/20 0.41
TLR1 Q15399 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
WNT1 P04628 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40

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
SCHEMBL23923854 1.00 ABL1 (0.48) ABL1DEGS1KDM4EALDH1A1ROCK2
SCHEMBL23951729 0.87 TACR1 (0.55) ABL1DEGS1TRPV1GSK3BDYRK1A
SCHEMBL29900688 0.87 TACR1 (0.55) ABL1DEGS1TRPV1GSK3BDYRK1A
SCHEMBL28932930 0.87 TACR1 (0.55) ABL1DEGS1TRPV1GSK3BDYRK1A
SCHEMBL558873 0.84 GSK3B (0.54) ABL1ROCK2WNT1GSK3BDYRK1A
SCHEMBL23951289 0.79 ROCK2 (0.53) ABL1DEGS1KDM4EALDH1A1ROCK2
SCHEMBL23951527 0.79 ROCK2 (0.53) ABL1DEGS1KDM4EALDH1A1ROCK2
SCHEMBL23951321 0.79 ROCK2 (0.53) ABL1DEGS1KDM4EALDH1A1ROCK2
SCHEMBL23951267 0.79 ROCK2 (0.53) ABL1DEGS1KDM4EALDH1A1ROCK2
SCHEMBL23951581 0.79 ROCK2 (0.53) ABL1DEGS1KDM4EALDH1A1ROCK2

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 ABL1 2707/4885DEGS1 4570/4885KDM4E 2961/4885
US-20210323942-A1 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 NR2E3, NR2F2, NR2C2 ABL1 2707/4885DEGS1 4570/4885KDM4E 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.