SCHEMBL17540251

SCHEMBL17540251

CC(C)(C)OC(=O)NCCCNC(=O)c1cc(-c2ccccc2)[nH]n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.44
KDR P35968 1/20 0.44
ACKR3 P25106 1/20 0.43
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
TDP1 Q9NUW8 3/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
HDAC4 P56524 1/20 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
SCHEMBL19442573 0.95 BCHE (0.45) RETKDRACKR3NPSR1MEN1
SCHEMBL17511304 0.83 HDAC3 (0.47) RETKDRMAPTHDAC3HDAC1
SCHEMBL19440809 0.82 NPC1 (0.56) MAPTMEN1KMT2AHDAC3HDAC1
SCHEMBL13740181 0.80 TDP1 (0.47) NPSR1MEN1KMT2AHDAC3HDAC1
SCHEMBL17883357 0.80 ITK (0.53) MEN1KMT2AMAPK1ALDH1A1
SCHEMBL19442587 0.79 NPC1 (0.41)
SCHEMBL19440874 0.79 RET (0.41) RETKDRMAPTHDAC3HDAC1
SCHEMBL17540249 0.79 HIF1A (0.67) KMT2AHDAC3HDAC1HDAC2HDAC10
SCHEMBL19440851 0.79 LMNA (0.46) MAPTMEN1KMT2AHDAC3HDAC1
SCHEMBL19440792 0.78 MEN1 (0.43) MAPTMEN1KMT2AHDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505729-B2 Isoxazole analogs as mediators of transcriptional induction of E-cadherin VANDERBILT UNIVERSITY (US) 2016-11-29 US disclosed
US-9505729-B2 Isoxazole analogs as mediators of transcriptional induction of E-cadherin VANDERBILT UNIVERSITY (US) 2016-11-29 US disclosed
US-20160052896-A1 ISOXAZOLE ANALOGS AS MEDIATORS OF TRANSCRIPTIONAL INDUCTION OF E-CADHERIN VANDERBILT UNIVERSITY 2016-02-25 US disclosed
US-20160052896-A1 ISOXAZOLE ANALOGS AS MEDIATORS OF TRANSCRIPTIONAL INDUCTION OF E-CADHERIN VANDERBILT UNIVERSITY 2016-02-25 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-20160052896-A1 ISOXAZOLE ANALOGS AS MEDIATORS OF TRANSCRIPTIONAL INDUCTION OF E-CADHERIN CDH1, VIM, EPCAM RET 2926/4885KDR 3560/4885ACKR3 1595/4885

“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.