SCHEMBL1715753

SCHEMBL1715753

Cc1nc(-c2ccc(CON)cc2)cs1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.51
RAB9A P51151 3/20 0.49
KDM4E B2RXH2 2/20 0.49
POLB P06746 2/20 0.49
LTA4H P09960 2/20 0.49
HTT P42858 1/20 0.49
RECQL P46063 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
MAPT P10636 2/20 0.47
ESR2 Q92731 1/20 0.47
AGXT P21549 2/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 1/20 0.46
ATP4A P20648 1/20 0.46
ATP4B P51164 1/20 0.46
GFER P55789 1/20 0.46

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
SCHEMBL507232 0.81 GAA (0.56) GAARAB9AKDM4EPOLBLTA4H
SCHEMBL15384510 0.80 GAA (0.57) GAARAB9AKDM4EPOLBLTA4H
SCHEMBL12297161 0.80 GAA (0.57) GAARAB9AKDM4EPOLBLTA4H
SCHEMBL2608890 0.79 RAB9A (0.48) GAARAB9AKDM4EPOLBLTA4H
SCHEMBL4050295 0.78 GAA (0.56) GAARAB9AKDM4EPOLBLTA4H
SCHEMBL17440110 0.78 RAB9A (0.57) GAARAB9AKDM4EPOLBHTT
SCHEMBL6328455 0.77 GAA (0.51) GAARAB9AKDM4EPOLBLTA4H
SCHEMBL19626741 0.77 GAA (0.54) GAARAB9AKDM4EPOLBLTA4H
SCHEMBL19626482 0.76 RAB9A (0.58) GAARAB9AKDM4EPOLBHTT
SCHEMBL1434288 0.75 GAA (0.66) GAARAB9AKDM4EPOLBLTA4H

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-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US claimed
US-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 US disclosed
EP-1697312-B1 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2011-07-20 EP disclosed
CN-1906155-B Novel hydroxamic acid ester derivant and pharmaceutical use thereof LEO PHARMA AS 2010-06-23 CN disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 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-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof F9, F12, HDAC9 GAA 264/4885RAB9A 152/4885KDM4E 843/4885

“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.