SCHEMBL570538

SCHEMBL570538

COc1ccc(NC(=O)c2nn(CC(O)CO)c3ccccc23)cc1C(=O)NCCCN

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 9/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR3A P46098 1/20 0.39
ROCK2 O75116 3/20 0.38
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NAMPT P43490 1/20 0.38
HDAC3 O15379 3/20 0.37
HDAC1 Q13547 3/20 0.37
HPGD P15428 1/20 0.36
PTK2B Q14289 1/20 0.36
ELANE P08246 1/20 0.36

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
SCHEMBL10182574 0.89 ROCK1 (0.49) ROCK1MEN1KMT2AHTR3AROCK2
SCHEMBL10182068 0.88 ROCK1 (0.47) ROCK1MEN1KMT2AHTR3AROCK2
SCHEMBL12473470 0.87 ROCK1 (0.46) ROCK1ROCK2KDM4ENPSR1HPGD
SCHEMBL10183283 0.85 HDAC3 (0.52) ROCK1MEN1KMT2AHTR3AKDM4E
SCHEMBL18915782 0.81 RAB9A (0.34) MEN1KMT2AHDAC3HDAC1
SCHEMBL15183144 0.79 KDM4E (0.52) ROCK1HTR3AKDM4ENPSR1HPGD
SCHEMBL10182311 0.78 HDAC1 (0.54) KDM4EHDAC3HDAC1
SCHEMBL10182441 0.78 HDAC1 (0.46) ROCK1MEN1KMT2AHTR3AKDM4E
SCHEMBL10183958 0.78 HDAC1 (0.46) ROCK1MEN1KMT2AHTR3AKDM4E
SCHEMBL25868533 0.77 HTR3A (0.47) ROCK1HTR3AKDM4ENPSR1HPGD

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-20170152288-A1 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY NOVALIX DEUTSCHLAND GMBH (DE) 2017-06-01 US disclosed
US-20170152288-A1 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY NOVALIX DEUTSCHLAND GMBH (DE) 2017-06-01 US disclosed
EP-2601208-B1 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY GRAFFINITY PHARMACEUTICALS GMBH (DE) 2015-02-11 EP disclosed
US-20130131321-A1 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY GRAFFINITY PHARMACEUTICALS GMBH (DE) 2013-05-23 US disclosed
US-20130131321-A1 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY GRAFFINITY PHARMACEUTICALS GMBH (DE) 2013-05-23 US disclosed
WO-2012017021-A2 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY GRAFFINITY PHARMACEUTICALS GMBH (DE) 2012-02-09 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-20170152288-A1 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY FCGR1A, FCGR2A, FCGR3B ROCK1 3358/4885MEN1 3656/4885KMT2A 2553/4885
US-20130131321-A1 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY FCGR1A, FCGR2A, FCER2 ROCK1 4099/4885MEN1 3015/4885KMT2A 1127/4885

“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.