SCHEMBL17540249

SCHEMBL17540249

CC(C)(C)OC(=O)NCCCNC(=O)c1cc(-c2ccccc2)on1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 5/20 0.67
HDAC6 Q9UBN7 8/20 0.62
HDAC1 Q13547 7/20 0.62
HDAC3 O15379 6/20 0.62
HDAC10 Q969S8 6/20 0.62
HDAC2 Q92769 5/20 0.62
HDAC8 Q9BY41 5/20 0.62
FAAH O00519 3/20 0.61
HDAC4 P56524 2/20 0.61
HDAC7 Q8WUI4 2/20 0.61
HDAC11 Q96DB2 2/20 0.61
HDAC9 Q9UKV0 2/20 0.61
HDAC5 Q9UQL6 2/20 0.61
HTT P42858 3/20 0.56
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
LMNA P02545 3/20 0.55
POLB P06746 1/20 0.55
SCD O00767 1/20 0.55

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
SCHEMBL30644710 0.95 HIF1A (0.62) HIF1AHDAC6HDAC1HDAC3HDAC10
SCHEMBL17079555 0.85 HIF1A (0.61) HIF1AHDAC6HDAC1HDAC3HDAC10
SCHEMBL17079180 0.85 HDAC6 (0.58) HIF1AHDAC6HDAC1HDAC3HDAC10
SCHEMBL23822902 0.83 HIF1A (0.73) HIF1AHDAC6HDAC1HDAC3HDAC10
SCHEMBL17540248 0.83 HIF1A (0.76) HIF1AHDAC6HDAC1HDAC3HDAC10
SCHEMBL17079551 0.83 HIF1A (0.76) HIF1AHDAC6HDAC1HDAC3HDAC10
SCHEMBL17511041 0.83 HIF1A (0.80) HIF1AHDAC6HDAC1HDAC3HDAC10
SCHEMBL19442568 0.82 HIF1A (0.64) HIF1AHDAC6HDAC1HDAC3HDAC10
SCHEMBL19440767 0.82 HIF1A (0.78) HIF1AHDAC6HDAC1HDAC3HDAC10
SCHEMBL23822913 0.81 HIF1A (0.70) HIF1AHDAC6HDAC1HDAC3HDAC10

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-9783510-B2 Small molecule mediated transcriptional induction of E-cadherin VANDERBILT UNIVERSITY (US) 2017-10-10 US disclosed
US-9783510-B2 Small molecule mediated transcriptional induction of E-cadherin VANDERBILT UNIVERSITY (US) 2017-10-10 US disclosed
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 HIF1A 388/4885HDAC6 132/4885HDAC1 196/4885

“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.