SCHEMBL23979434

SCHEMBL23979434

CO/N=C/NC(=O)c1ccc(C2=NO[C@@](c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
ORAI1 Q96D31 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
F2 P00734 1/20 0.30
F10 P00742 1/20 0.30
PRSS1 P07477 1/20 0.30

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
SCHEMBL1802084 1.00 KDM4E (0.32) KDM4ECA1CA2HTTRAB9A
SCHEMBL29416612 1.00 KDM4E (0.32) KDM4ECA1CA2HTTRAB9A
SCHEMBL16661674 1.00 KDM4E (0.32) KDM4ECA1CA2HTTRAB9A
SCHEMBL120159 1.00 KDM4E (0.32) KDM4ECA1CA2HTTRAB9A
SCHEMBL12846200 1.00 KDM4E (0.32) KDM4ECA1CA2HTTRAB9A
SCHEMBL120160 1.00 KDM4E (0.32) KDM4ECA1CA2HTTRAB9A
SCHEMBL1797280 0.94 SMN1; SMN2 (0.33) KDM4EHTTSMN1; SMN2F2F10
SCHEMBL28721787 0.93 CA1 (0.32) KDM4ECA1CA2HTTRAB9A
SCHEMBL12846257 0.93 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL12846202 0.92 PDK2 (0.34) KDM4ECA1CA2HTTRAB9A

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-20210380569-A1 Process for Preparation of Optically Enriched Isoxazolines BASF SE (DE) 2021-12-09 US disclosed
US-20210340113-A1 PROCESS FOR PREPARATION OF OPTICALLY ENRICHED ALDOL COMPOUNDS BASF SE (DE) 2021-11-04 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-20210380569-A1 Process for Preparation of Optically Enriched Isoxazolines CYP11B2, CYP11B1, CYP3A7 KDM4E 1108/4885CA1 2720/4885CA2 3042/4885
US-20210340113-A1 PROCESS FOR PREPARATION OF OPTICALLY ENRICHED ALDOL COMPOUNDS ADH5, ALDOA, ACACB KDM4E 746/4885CA1 2299/4885CA2 3198/4885

“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.