SCHEMBL5986874

SCHEMBL5986874

CC(=O)NCc1c(C)cc(CO)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
ALOX15 P16050 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CD274 Q9NZQ7 1/20 0.35
SETDB1 Q15047 1/20 0.35
VHL P40337 1/20 0.35
BCL2 P10415 1/20 0.35
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35

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
SCHEMBL5988856 0.87 ALDH1A1 (0.44) KMT2AALDH1A1MAPTKDM4EHDAC1
SCHEMBL27457692 0.85 KMT2A (0.44) KMT2AALDH1A1MAPTKDM4EHDAC1
SCHEMBL6017718 0.82 BCL2 (0.47) KMT2AALDH1A1MAPTKDM4EHDAC1
SCHEMBL19263846 0.79 LMNA (0.41) KMT2AALDH1A1MAPTKDM4EHDAC1
SCHEMBL24269721 0.79 SETDB1 (0.43) KMT2AALDH1A1MAPTKDM4EHDAC1
SCHEMBL27474959 0.78 ALDH1A1 (0.49) KMT2AALDH1A1MAPTKDM4EHDAC1
SCHEMBL144762 0.76 ALOX15 (0.40) KMT2AALDH1A1MAPTKDM4EHDAC1
SCHEMBL5436067 0.73 KMT2A (0.47) KMT2AALDH1A1MAPTKDM4EHDAC1
SCHEMBL146862 0.73 NPSR1 (0.38) KMT2AALDH1A1MAPTKDM4ENPSR1
SCHEMBL28158681 0.73 CD274 (0.40) KMT2AALDH1A1MAPTKDM4ENPSR1

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 KMT2A 2109/4885ALDH1A1 710/4885MAPT 4604/4885
US-20030018034-A1 Piperazine compounds and medicinal use thereof TNF, IL5, CCR10 KMT2A 2049/4885ALDH1A1 788/4885MAPT 4606/4885
US-20060167014-A1 Piperazine compounds and medicinal use thereof TNF, CCR10, RELA KMT2A 1815/4885ALDH1A1 1148/4885MAPT 4649/4885

“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.