SCHEMBL5988091

SCHEMBL5988091

CC(=O)NCc1ccc(C(C)(C)N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.57
HDAC6 Q9UBN7 2/20 0.57
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 1/20 0.56
RAB9A P51151 1/20 0.56
KIF11 P52732 1/20 0.54
EPHX2 P34913 9/20 0.51
NR1H4 Q96RI1 6/20 0.51
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
HDAC3 O15379 3/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC8 Q9BY41 2/20 0.47
VHL P40337 1/20 0.47
HDAC4 P56524 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
CA1 P00915 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
SCHEMBL4403136 0.85 EPHX2 (0.68) HDAC1HDAC6KMT2ARAB9AEPHX2
SCHEMBL2629356 0.84 LSS (0.59) HDAC1HDAC6KMT2AALDH1A1POLB
SCHEMBL25153485 0.84 HDAC1 (0.59) HDAC1HDAC6KMT2AALDH1A1POLB
SCHEMBL27458185 0.83 KDM4E (0.62) ALDH1A1MAPTRAB9ACA1CA2
SCHEMBL12133623 0.82 KMT2A (0.76) HDAC1HDAC6KMT2AALDH1A1POLB
SCHEMBL12188869 0.81 HDAC1 (0.56) HDAC1HDAC6KMT2AALDH1A1POLB
SCHEMBL5986990 0.81 KMT2A (0.59) HDAC1HDAC6KMT2AALDH1A1POLB
SCHEMBL3630497 0.79 LSS (0.55) HDAC1HDAC6KMT2AALDH1A1POLB
SCHEMBL17036136 0.78 KIF11 (0.60) HDAC1HDAC6KMT2AALDH1A1POLB
SCHEMBL5987398 0.78 HDAC1 (0.53) HDAC1HDAC6KMT2AALDH1A1POLB

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-20060167014-A1 Piperazine compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION 2006-07-27 US disclosed
EP-1029851-B1 PIPERAZINE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2005-04-20 EP disclosed
US-20030055064-A1 Piperazine compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION 2003-03-20 US disclosed
US-20030018034-A1 Piperazine compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION 2003-01-23 US disclosed
US-6455528-B1 TUMOR NECROSIS FACTOR ANTAGONIST AND/OR INTERLEUKIN PROMOTER; ANTIALLERGENS, ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE TREATMENT MITSUBISHI PHARMA CORPORATION (JP) 2002-09-24 US disclosed
EP-1029851-A1 PIPERAZINE COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-08-23 EP 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 (3 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-20030055064-A1 Piperazine compounds and medicinal use thereof TNF, IL5, CCR10 HDAC1 428/4885HDAC6 1002/4885KMT2A 2109/4885
US-20030018034-A1 Piperazine compounds and medicinal use thereof TNF, IL5, CCR10 HDAC1 438/4885HDAC6 965/4885KMT2A 2049/4885
US-20060167014-A1 Piperazine compounds and medicinal use thereof TNF, CCR10, RELA HDAC1 507/4885HDAC6 925/4885KMT2A 1815/4885

“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.