SCHEMBL23835523

SCHEMBL23835523

O=C(O)N[C@H]1CC[C@H](n2cnnn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.40
POLB P06746 2/20 0.34
KMT2A Q03164 2/20 0.34
IDO1 P14902 1/20 0.31
EPHX1 P07099 1/20 0.31
EPHX2 P34913 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL21789271 0.79 JAK1 (0.45) KMT2AL3MBTL1
SCHEMBL15656431 0.74 EPHX2 (0.46) SMYD3POLBEPHX2
SCHEMBL15656432 0.74 EPHX2 (0.46) SMYD3POLBEPHX2
SCHEMBL12436840 0.73 KCNJ1 (0.33) IDO1KDM4EHTTL3MBTL1
SCHEMBL17592034 0.70 SMYD3 (0.78) SMYD3
SCHEMBL17592032 0.70 SMYD3 (0.78) SMYD3
SCHEMBL21774782 0.70 SMYD3 (0.51) SMYD3IDO1EPHX2
SCHEMBL21774780 0.70 SMYD3 (0.51) SMYD3IDO1EPHX2
SCHEMBL21789269 0.70 SMYD3 (0.36) SMYD3IDO1
SCHEMBL245467 0.70

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-4121421-A1 BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS Novartis AG (CH) 2023-01-25 EP disclosed
US-20210299100-A1 BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS NOVARTIS PHARMA AG (CH) 2021-09-30 US disclosed
WO-2021186324-A1 BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS NOVARTIS AG (CH) 2021-09-23 WO 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-20210299100-A1 BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS YAP1, TEAD3, TEAD2 SMYD3 1358/4885POLB 4446/4885KMT2A 1757/4885

“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.