SCHEMBL6219587

SCHEMBL6219587

CC(=O)C(=O)c1ccccn1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.75
CES1 P23141 2/20 0.75
ALDH1A1 P00352 2/20 0.69
L3MBTL1 Q9Y468 2/20 0.59
LMNA P02545 2/20 0.59
NAPRT Q6XQN6 1/20 0.59
P4HTM Q9NXG6 1/20 0.59
KDM4E B2RXH2 4/20 0.53
KMT2A Q03164 2/20 0.53
GSK3B P49841 1/20 0.52
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
CTNNB1 P35222 1/20 0.46
WNT3A P56704 1/20 0.46
MAPK1 P28482 1/20 0.46
NPC1 O15118 4/20 0.46
MAPT P10636 2/20 0.46
PKM P14618 2/20 0.46
GAA P10253 1/20 0.45

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
Hydrochloric Acid SCHEMBL28413498 0.98 CES2 (0.72) CES2CES1ALDH1A1L3MBTL1LMNA
SCHEMBL29466797 0.86 CES2 (1.00) CES2CES1ALDH1A1L3MBTL1LMNA
SCHEMBL29466796 0.86 CES2 (1.00) CES2CES1ALDH1A1L3MBTL1LMNA
SCHEMBL211487 0.86 CES2 (1.00) CES2CES1ALDH1A1L3MBTL1LMNA
SCHEMBL3035558 0.83 CES2 (0.69) CES2CES1ALDH1A1L3MBTL1LMNA
SCHEMBL29976899 0.82 CES2 (0.82) CES2CES1ALDH1A1L3MBTL1LMNA
SCHEMBL29358072 0.82
SCHEMBL55127 0.82
Methyl Alcohol SCHEMBL27687010 0.82 ALDH1A1 (1.00) CES2CES1ALDH1A1L3MBTL1LMNA
SCHEMBL6247730 0.81 ALDH1A1 (0.67) CES2CES1ALDH1A1L3MBTL1LMNA

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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
US-6949564-B2 for example, 9-ethyl-3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-9H-carbazole; use in treating diseases, conditions and/or disorders modulated by NPY-5 receptor antagonists PFIZER INC. (US) 2005-09-27 US disclosed
EP-1575934-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NPY-5 ANTAGONISTS Pfizer Products Inc. (US) 2005-09-21 EP disclosed
WO-2004055002-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NPY-5 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2004-07-01 WO disclosed
US-20040122046-A1 NPY-5 antagonists PFIZER INC 2004-06-24 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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 CES2 1256/4885CES1 1425/4885ALDH1A1 2105/4885
US-20040122046-A1 NPY-5 antagonists NPY5R, NPY1R, NPY2R CES2 3483/4885CES1 1400/4885ALDH1A1 2362/4885

“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.