SCHEMBL29925482

SCHEMBL29925482

C=C(C(=O)OC)C(O)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TSHR P16473 2/20 0.41
SLC6A3 Q01959 2/20 0.41
ABCB11 O95342 1/20 0.41
LMNA P02545 1/20 0.41
ESR1 P03372 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2C9 P11712 1/20 0.41
PDE4A P27815 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRK1 P41145 1/20 0.41
STAT6 P42226 1/20 0.41
HIF1A Q16665 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
CYP1A2 P05177 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 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
SCHEMBL14915338 1.00 CYP3A4 (0.41) CYP3A4KDM4ETSHRSLC6A3ABCB11
SCHEMBL24586223 1.00 CYP3A4 (0.41) CYP3A4KDM4ETSHRSLC6A3ABCB11
SCHEMBL15037013 0.84 CASP1 (0.57) CYP3A4KDM4ETSHRSLC6A3ABCB11
SCHEMBL27972528 0.80 EGFR (0.42)
SCHEMBL30360466 0.80 KDM4E (0.47) CYP3A4KDM4ETSHRSLC6A3ABCB11
SCHEMBL6641796 0.80 KMT2A (0.48) CYP3A4KDM4ETSHRSLC6A3ABCB11
SCHEMBL6274638 0.80 KDM4E (0.47) CYP3A4KDM4ETSHRSLC6A3ABCB11
SCHEMBL22630711 0.80 TSHR (0.57) CYP3A4KDM4ETSHRSLC6A3ABCB11
SCHEMBL29301526 0.79 TP53 (0.37) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL27972595 0.79 HDAC3 (0.39) LMNAHIF1ACASP1HPGDNPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4426291-A1 INDOLIZINE COMPOUNDS FOR THE TREATMENT OF MENTAL DISORDERS OR MENTAL ENHANCEMENT Tactogen Inc. (US) 2024-09-11 EP disclosed
US-20240270747-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2024-08-15 US disclosed
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2023-09-07 US disclosed
WO-2023081306-A1 INDOLIZINE COMPOUNDS FOR THE TREATMENT OF MENTAL DISORDERS OR MENTAL ENHANCEMENT TACTOGEN INC (US) 2023-05-11 WO disclosed
EP-4050012-A1 PYRIDONE BORONATES FOR THE PREPARATION OF INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2022-08-31 EP 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-20240270747-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 CYP3A4 932/4885KDM4E 1352/4885TSHR 2362/4885
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 CYP3A4 932/4885KDM4E 1352/4885TSHR 2362/4885

“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.