SCHEMBL15917659

SCHEMBL15917659

COc1cc2nccc(Oc3ccc(N(C(=O)C4(C(N)=O)CC4)c4ccc(F)cc4)cc3F)c2cc1OCCCCC(=O)NO

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 6/20 0.69
HDAC8 Q9BY41 6/20 0.69
HDAC6 Q9UBN7 6/20 0.69
HDAC10 Q969S8 5/20 0.69
HDAC11 Q96DB2 5/20 0.69
MET P08581 13/20 0.67
KDR P35968 6/20 0.67
AXL P30530 5/20 0.67
RET P07949 2/20 0.67
PDGFRB P09619 2/20 0.67
KIT P10721 2/20 0.67
FLT3 P36888 2/20 0.67
MERTK Q12866 2/20 0.51
EGFR P00533 2/20 0.51
ERBB2 P04626 2/20 0.51
PLK4 O00444 1/20 0.51
STK25 O00506 1/20 0.51
CIT O14578 1/20 0.51
AURKA O14965 1/20 0.51
CHUK O15111 1/20 0.51

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
SCHEMBL15918162 1.00 HDAC2 (0.69) HDAC2HDAC8HDAC6HDAC10HDAC11
SCHEMBL15917808 0.99 HDAC2 (0.70) HDAC2HDAC8HDAC6HDAC10HDAC11
SCHEMBL15918114 0.99 HDAC2 (0.70) HDAC2HDAC8HDAC6HDAC10HDAC11
SCHEMBL15917325 0.99 HDAC2 (0.70) HDAC2HDAC8HDAC6HDAC10HDAC11
SCHEMBL15917470 0.99 HDAC2 (0.70) HDAC2HDAC8HDAC6HDAC10HDAC11
SCHEMBL15918683 0.98 MET (0.69) HDAC2HDAC8HDAC6HDAC10HDAC11
SCHEMBL15917788 0.98 MET (0.69) HDAC2HDAC8HDAC6HDAC10HDAC11
SCHEMBL15918424 0.96 MET (0.64) HDAC2HDAC8HDAC6HDAC10HDAC11
SCHEMBL15917985 0.96 MET (0.64) HDAC2HDAC8HDAC6HDAC10HDAC11
SCHEMBL15918412 0.93 MET (0.62) HDAC2HDAC8HDAC6HDAC10HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2769976-B1 HYDROXAMIC ACID COMPOUND CONTAINING QUINOLYL AND PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THIS COMPOUND AND USE THEREOF BEIJING KONRUNS PHARMACEUTICAL CO LTD (CN) 2017-08-02 EP claimed
US-9186318-B2 Quinolyl-containing hydroxamic acid compound and preparation method thereof, and pharmaceutical composition containing this compound and use thereof BEIJING KONRUNS PHARMACEUTICAL CO., LTD (CN) 2015-11-17 US claimed
EP-2769976-A1 HYDROXAMIC ACID COMPOUND CONTAINING QUINOLYL AND PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THIS COMPOUND AND USE THEREOF Beijing Konruns Pharmaceutical Co., Ltd. (CN) 2014-08-27 EP claimed
US-20140221425-A1 Quinolyl-containing Hydroxamic Acid Compound and Preparation Method Thereof, and Pharmaceutical Composition Containing This Compound and Use Thereof BEIJING KONRUNS PHARMACEUTICAL CO., LTD. (CN) 2014-08-07 US claimed
EP-2769976-B1 HYDROXAMIC ACID COMPOUND CONTAINING QUINOLYL AND PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THIS COMPOUND AND USE THEREOF BEIJING KONRUNS PHARMACEUTICAL CO LTD (CN) 2017-08-02 EP disclosed
US-9186318-B2 Quinolyl-containing hydroxamic acid compound and preparation method thereof, and pharmaceutical composition containing this compound and use thereof BEIJING KONRUNS PHARMACEUTICAL CO., LTD (CN) 2015-11-17 US disclosed
US-20140221425-A1 Quinolyl-containing Hydroxamic Acid Compound and Preparation Method Thereof, and Pharmaceutical Composition Containing This Compound and Use Thereof BEIJING KONRUNS PHARMACEUTICAL CO., LTD. (CN) 2014-08-07 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 (1 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-20140221425-A1 Quinolyl-containing Hydroxamic Acid Compound and Preparation Method Thereof, and Pharmaceutical Composition Containing This Compound and Use Thereof HDAC5, HDAC1, HDAC7 HDAC2 15/4885HDAC8 10/4885HDAC6 6/4885

“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.