Sugi Predict

Sugi Predict / Compounds / SCHEMBL19512876

SCHEMBL19512876

SCHEMBL19512876

COc1c(C)cnc(CN(C(=O)OC(C)(C)C)c2cccc(N(Cc3ccccc3)C(=O)OC(C)(C)C)c2)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ RAB9A P51151 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ CHRM2 P08172 3/20 0.38
▸ CHRM1 P11229 3/20 0.38
▸ CHRM3 P20309 3/20 0.38
▸ STAT5B P51692 1/20 0.38
▸ WDR5 P61964 1/20 0.37
▸ F2 P00734 1/20 0.36
▸ AGXT P21549 1/20 0.36
▸ LNPEP Q9UIQ6 1/20 0.35

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
SCHEMBL20914591 0.98 KMT2A (0.41) KMT2AMEN1RAB9ANPC1HDAC1
SCHEMBL19512937 0.93 HDAC1 (0.39) KMT2AMEN1RAB9ANPC1HDAC1
SCHEMBL19512668 0.91 AGXT (0.40) KMT2AMEN1HDAC1HDAC8HDAC6
SCHEMBL20937191 0.90 HDAC1 (0.41) KMT2AMEN1HDAC1HDAC8HDAC6
SCHEMBL19512701 0.89 HDAC1 (0.41) KMT2AMEN1RAB9ANPC1HDAC1
SCHEMBL19513026 0.89 HDAC1 (0.40) KMT2AMEN1RAB9ANPC1HDAC1
SCHEMBL28997300 0.89 HDAC1 (0.41) KMT2AMEN1RAB9ANPC1HDAC1
SCHEMBL19512757 0.88 HDAC1 (0.40) KMT2AMEN1HDAC1HDAC8HDAC6
SCHEMBL20936992 0.87 HDAC1 (0.51) HDAC1HDAC8HDAC6CHRM2CHRM1
SCHEMBL19512769 0.87 HDAC1 (0.40) KMT2AMEN1HDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311813-B Palladium-catalyzed meta-C-H functionalized universal ligands 斯克利普斯研究院 2023-02-28 — — CN disclosed
US-10696635-B2 Versatile ligand for palladium-catalyzed meta-C—H functionalizations of aromatic substrates THE SCRIPPS RESEARCH INSTITUTE (US) 2020-06-30 — — US disclosed
US-20190119212-A1 A VERSATILE LIGAND FOR PALLADIUM-CATALYZED META-C-H FUNCTIONALIZATIONS THE SCRIPPS RESEARCH INSTITUTE 2019-04-25 — — US disclosed
WO-2017184589-A1 A VERSATILE LIGAND FOR PALLADIUM-CATALYZED META-C-H FUNCTIONALIZATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2017-10-26 — — 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 (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-20190119212-A1 A VERSATILE LIGAND FOR PALLADIUM-CATALYZED META-C-H FUNCTIONALIZATIONS AHR, PAH, DOHH KMT2A 1557/4885MEN1 1353/4885RAB9A 2426/4885
US-10696635-B2 Versatile ligand for palladium-catalyzed meta-C—H functionalizations of aromatic substrates PAH, AHR, DDC KMT2A 1517/4885MEN1 1194/4885RAB9A 2261/4885

“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.