SCHEMBL3666029

SCHEMBL3666029

COC(=O)CCCCCCNC(=O)c1c(C)oc(-c2ccccc2)c1Br

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.49
HDAC1 Q13547 8/20 0.49
LMNA P02545 1/20 0.46
HDAC3 O15379 5/20 0.43
HDAC2 Q92769 4/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC4 P56524 3/20 0.43
HDAC5 Q9UQL6 3/20 0.43
NCOR2 Q9Y618 2/20 0.43
HDAC7 Q8WUI4 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL3667325 1.00 HDAC6 (0.49) HDAC6HDAC1LMNAHDAC3HDAC2
SCHEMBL3669626 0.83 LTB4R (0.43) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL3663483 0.83 SMN1; SMN2 (0.47) HDAC6HDAC1LMNAHDAC3HDAC2
SCHEMBL3665405 0.83 SMN1; SMN2 (0.47) HDAC6HDAC1LMNAHDAC3HDAC2
SCHEMBL3670663 0.82 HDAC6 (0.43) HDAC6HDAC1LMNAHDAC3HDAC2
SCHEMBL3664868 0.82 HDAC6 (0.43) HDAC6HDAC1LMNAHDAC3HDAC2
SCHEMBL3667533 0.76 ALDH1A1 (0.53) HDAC6HDAC1LMNAHDAC3HDAC2
SCHEMBL3664770 0.76 ALDH1A1 (0.53) HDAC6HDAC1LMNAHDAC3HDAC2
SCHEMBL12791258 0.75 SMN1; SMN2 (0.48) HDAC6HDAC1LMNAHDAC3ALDH1A1
SCHEMBL12791142 0.75 SMN1; SMN2 (0.48) HDAC6HDAC1LMNAHDAC3ALDH1A1

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-20110054017-A1 SUBSTITUTED FURANS AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-03-03 US disclosed
US-20110054017-A1 SUBSTITUTED FURANS AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-03-03 US disclosed
EP-2240461-A1 SUBSTITUTED FURANS AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2010-10-20 EP disclosed
WO-2009097991-A1 SUBSTITUTED FURANS AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-08-13 WO disclosed
WO-2009097991-A1 SUBSTITUTED FURANS AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-08-13 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 (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-20110054017-A1 SUBSTITUTED FURANS AND THEIR USE XDH, TXN2, FABP3 HDAC6 3787/4885HDAC1 1830/4885LMNA 443/4885

“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.