SCHEMBL782211

SCHEMBL782211

CN(C)c1cccc(/C=C/C(=O)CCN)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.47
MEF2D Q14814 1/20 0.47
MMP9 P14780 1/20 0.46
ALDH1A1 P00352 1/20 0.44
IAPP P10997 3/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
BACE1 P56817 4/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 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
SCHEMBL782212 1.00 HDAC4 (0.47) HDAC4MEF2DMMP9ALDH1A1IAPP
SCHEMBL10717371 0.81 HSD17B3 (0.62) HDAC4MEF2DALDH1A1MAOAMAOB
SCHEMBL1423958 0.80 NPSR1 (0.57) HDAC4MEF2DMMP9ALDH1A1BACE1
SCHEMBL7317275 0.80 TDP1 (0.56) HDAC4MEF2DALDH1A1IAPPMAOA
SCHEMBL7317282 0.80 TDP1 (0.56) HDAC4MEF2DALDH1A1IAPPMAOA
SCHEMBL8053440 0.80 NPSR1 (0.57) HDAC4MEF2DMMP9ALDH1A1BACE1
SCHEMBL12425722 0.76 HDAC4 (0.69) HDAC4MEF2DHDAC3HDAC1HDAC7
SCHEMBL11308676 0.76 ALDH1A1 (0.72) HDAC4ALDH1A1MAOBHDAC3HDAC1
SCHEMBL11295609 0.76 ALDH1A1 (0.72) HDAC4ALDH1A1MAOBHDAC3HDAC1
SCHEMBL25195574 0.74 MAPT (0.72) ALDH1A1MAOAMAOBNPC1MAPT

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-9604958-B2 HIF inhibitors and use thereof THE GENERAL HOSPITAL CORPORATION (US) 2017-03-28 US disclosed
US-20150023868-A1 HIF INHIBITORS AND USE THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2015-01-22 US disclosed
US-20120070369-A1 HIF INHIBITORS AND USE THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2012-03-22 US disclosed
US-4400380-A HERBES VIRUS; TOPICAL MERRELL DOW PHARMACEUTICALS INC. (US) 1983-08-23 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 (2 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-20120070369-A1 HIF INHIBITORS AND USE THEREOF HIF1AN, HIF1A, EGLN3 HDAC4 181/4885MEF2D 1046/4885MMP9 377/4885
US-20150023868-A1 HIF INHIBITORS AND USE THEREOF HIF1AN, HIF1A, EGLN3 HDAC4 181/4885MEF2D 1046/4885MMP9 377/4885

“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.