SCHEMBL10183283

SCHEMBL10183283

COc1ccc(NC(=O)c2nn(C)c3ccccc23)cc1C(=O)NCCCN

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.52
HDAC1 Q13547 3/20 0.52
ROCK1 Q13464 2/20 0.47
LCK P06239 1/20 0.47
CSK P41240 1/20 0.47
KDM4E B2RXH2 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
HPGD P15428 2/20 0.42

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
SCHEMBL10182441 0.91 HDAC1 (0.46) HDAC3HDAC1ROCK1LCKCSK
SCHEMBL10183958 0.91 HDAC1 (0.46) HDAC3HDAC1ROCK1LCKCSK
SCHEMBL10182574 0.90 ROCK1 (0.49) HDAC3HDAC1ROCK1KDM4ENPSR1
SCHEMBL10182068 0.89 ROCK1 (0.47) HDAC3HDAC1ROCK1KDM4ENPSR1
SCHEMBL624372 0.88 MCHR1 (0.44) HDAC3HDAC1KDM4ENPSR1MAPT
SCHEMBL10182065 0.87 KDM4E (0.42) HDAC3HDAC1KDM4ENPSR1LMNA
SCHEMBL10182311 0.85 HDAC1 (0.54) HDAC3HDAC1KDM4ELMNAMAPT
SCHEMBL570538 0.85 ROCK1 (0.44) HDAC3HDAC1ROCK1KDM4ENPSR1
SCHEMBL14955074 0.84 ROCK1 (0.47) HDAC3HDAC1ROCK1LCKCSK
SCHEMBL10182327 0.82 HDAC3 (0.43) HDAC3HDAC1KDM4ENPSR1MAPT

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 9 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
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
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
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 HDAC3 2949/4885HDAC1 2633/4885ROCK1 3358/4885
US-20130131321-A1 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY FCGR1A, FCGR2A, FCER2 HDAC3 90/4885HDAC1 161/4885ROCK1 4099/4885

“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.