SCHEMBL5986815

SCHEMBL5986815

CC(=O)NCc1ccc(CO)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
PTPN1 P18031 1/20 0.42
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.40
TTR P02766 1/20 0.40
CXCR4 P61073 1/20 0.39
HPGD P15428 2/20 0.39
PDK1 Q15118 1/20 0.39

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
SCHEMBL5987827 0.87 RAB9A (0.42) ALDH1A1MAPTPTPN1CYP1A2CYP3A4
SCHEMBL5987876 0.82 KMT2A (0.42) ALDH1A1MAPTPTPN1CYP1A2CYP3A4
SCHEMBL6300783 0.81 ALDH1A1 (0.49) ALDH1A1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL13385351 0.80 HTT (0.59) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL1670611 0.80 PDK1 (0.53) ALDH1A1MAPTCYP1A2KMT2ALMNA
SCHEMBL1589851 0.80 ALDH1A1 (0.51) ALDH1A1MAPTCYP1A2SMN1; SMN2MAPK1
SCHEMBL31612277 0.80 ALDH1A1 (0.51) ALDH1A1MAPTCYP1A2SMN1; SMN2MAPK1
SCHEMBL14453688 0.78 MAPK1 (0.51) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL5988012 0.78 VCAM1 (0.54) ALDH1A1KMT2AMEN1LMNAHPGD
SCHEMBL16958246 0.77 ALDH1A1 (0.50) ALDH1A1MAPTCYP1A2CYP3A4CYP2C19

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 ALDH1A1 710/4885MAPT 4604/4885PTPN1 707/4885
US-20030018034-A1 Piperazine compounds and medicinal use thereof TNF, IL5, CCR10 ALDH1A1 788/4885MAPT 4606/4885PTPN1 763/4885
US-20060167014-A1 Piperazine compounds and medicinal use thereof TNF, CCR10, RELA ALDH1A1 1148/4885MAPT 4649/4885PTPN1 1151/4885

“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.