SCHEMBL11962157

SCHEMBL11962157

CNC(=O)c1ccc(OC)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 2/20 1.00
▸ HPGDS O60760 1/20 0.59
▸ MAPT P10636 3/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ HPGD P15428 2/20 0.59
▸ CDC25B P30305 2/20 0.58
▸ LMNA P02545 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ CYP2C9 P11712 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ STAT6 P42226 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ HIF1A Q16665 1/20 0.50
▸ GAA P10253 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ MTNR1A P48039 1/20 0.48
▸ BRD4 O60885 1/20 0.47

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
SCHEMBL2005312 1.00 PLK1 (1.00) PLK1HPGDSMAPTKMT2AHPGD
SCHEMBL31315042 0.86 PLK1 (0.76) PLK1HPGDSMAPTKMT2AHPGD
SCHEMBL13520263 0.85 PLK1 (0.72) PLK1HPGDALDH1A1HIF1AGAA
SCHEMBL5891933 0.85 PLK1 (0.73) PLK1HPGDSMAPTKMT2AHPGD
SCHEMBL24433096 0.83 PLK1 (0.71) PLK1HPGDSMAPTKMT2AHPGD
SCHEMBL24101354 0.82 PLK1 (0.70) PLK1HPGDSMAPTKMT2AHPGD
SCHEMBL7842295 0.80 PLK1 (0.67) PLK1HPGDSMAPTKMT2AHPGD
SCHEMBL4518755 0.80 PLK1 (0.67) PLK1HPGDSMAPTKMT2AHPGD
SCHEMBL4469856 0.80 CDC25B (0.78) PLK1HPGDSMAPTKMT2AHPGD
SCHEMBL6250609 0.79 MAPT (0.77) PLK1HPGDSMAPTKMT2AHPGD

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
US-20220151962-A1 NOVEL INHIBITORS OF HISTONE DEACETYLASE 10 DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2022-05-19 — — US disclosed
US-20160011195-A1 Method of Forming Fragment Ligated Inhibitors UNIVERSITY OF SOUTH CAROLINA 2016-01-14 — — US disclosed
US-20150315555-A1 Fragment Ligated Inhibitors Selective for the Polo Box Domain of PLK1 UNIVERSITY OF SOUTH CAROLINA 2015-11-05 — — US disclosed
US-9175357-B2 Fragment ligated inhibitors selective for the polo box domain of PLK1 UNIVERSITY OF SOUTH CAROLINA (US) 2015-11-03 — — US disclosed
US-20120202970-A1 Fragment Ligated Inhibitors Selective for the Polo Box Domain of PLK1 UNIVERSITY OF SOUTH CAROLINA (US) 2012-08-09 — — 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 (4 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-20150315555-A1 Fragment Ligated Inhibitors Selective for the Polo Box Domain of PLK1 PLK1, POLD1, CTDSP1 PLK1 1/4885HPGDS 1808/4885MAPT 1916/4885
US-20160011195-A1 Method of Forming Fragment Ligated Inhibitors PLK1, POLD1, POLR1E PLK1 1/4885HPGDS 1867/4885MAPT 2043/4885
US-20220151962-A1 NOVEL INHIBITORS OF HISTONE DEACETYLASE 10 HDAC10, HDAC1, HDAC11 PLK1 1289/4885HPGDS 2270/4885MAPT 1054/4885
US-20120202970-A1 Fragment Ligated Inhibitors Selective for the Polo Box Domain of PLK1 PLK1, POLD1, CTDSP1 PLK1 1/4885HPGDS 1808/4885MAPT 1916/4885

“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.

Send feedback