SCHEMBL17899389

SCHEMBL17899389

C[C@@H](O)c1ccc(C(N)=O)cc1Oc1ccc(N2CC(CO)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.37
PARP10 Q53GL7 7/20 0.36
PARP14 Q460N5 6/20 0.36
SCN9A Q15858 1/20 0.36
MAPT P10636 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
PARP1 P09874 1/20 0.34
DRD2 P14416 3/20 0.34
HTR1D P28221 3/20 0.34
HTR2A P28223 3/20 0.34
HTR1A P08908 2/20 0.34
DRD4 P21917 1/20 0.34
PARP15 Q460N3 2/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
PARP16 Q8N5Y8 1/20 0.34
PARP11 Q9NR21 1/20 0.34
PARP4 Q9UKK3 1/20 0.34
TNKS O95271 1/20 0.34

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
SCHEMBL17899391 0.88 PARP10 (0.38) MAPK1PARP10PARP14SCN9AMAPT
SCHEMBL17899151 0.86 ACACB (0.36) MAPK1PARP10PARP14SCN9AMAPT
SCHEMBL21697468 0.84 SLC6A4 (0.39) MAPK1PARP10PARP14MAPTSLC6A2
SCHEMBL17899153 0.83 PARP10 (0.37) PARP10PARP14MAPTSLC6A2SLC6A4
SCHEMBL17899403 0.81 PARP14 (0.37) PARP10PARP14MAPTPARP1DRD2
SCHEMBL21697466 0.73 SLC6A4 (0.40) MAPK1PARP10PARP14MAPTSLC6A2
SCHEMBL17888594 0.72 PDE4D (0.37) MAPK1PARP10PARP15ALDH1A1PARP2
SCHEMBL17888597 0.72 PDE4D (0.37) MAPK1PARP10PARP15ALDH1A1PARP2
SCHEMBL17899128 0.72 PDE4D (0.37) MAPK1PARP10PARP15ALDH1A1PARP2
SCHEMBL17899409 0.70 PARP10 (0.39) PARP10PARP14MAPTSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11013728-B2 Cyclin-dependent kinase 8 and/or 19 inhibitor KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2021-05-25 US disclosed
US-20210100783-A1 NOVEL CYCLIN-DEPENDENT KINASE 8 AND/OR 19 INHIBITOR KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2021-04-08 US disclosed
EP-3607944-A1 NOVEL CYCLIN-DEPENDENT KINASE 8 AND/OR 19 INHIBITOR Kyoto Pharmaceutical Industries, Ltd. (JP) 2020-02-12 EP disclosed
US-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2016-07-21 US disclosed
US-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2016-07-21 US disclosed
EP-3040329-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2016-07-06 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 (3 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-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF SOST, BMP2, ALPI MAPK1 352/4885PARP10 4022/4885PARP14 4384/4885
US-20210100783-A1 NOVEL CYCLIN-DEPENDENT KINASE 8 AND/OR 19 INHIBITOR CCNI, CDK9, CDK8 MAPK1 100/4885PARP10 1849/4885PARP14 1692/4885
US-11013728-B2 Cyclin-dependent kinase 8 and/or 19 inhibitor CCNI, CDK9, CDKN1A MAPK1 115/4885PARP10 1872/4885PARP14 1707/4885

“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.