SCHEMBL2013425

SCHEMBL2013425

CC(C)Nc1cccc(Cl)c1C=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
ALDH1A1 P00352 3/20 0.55
KMT2A Q03164 3/20 0.55
TDP1 Q9NUW8 1/20 0.55
NR4A2 P43354 2/20 0.42
CXCL8 P10145 3/20 0.36
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
PTGES2 Q9H7Z7 1/20 0.34
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPK14 Q16539 1/20 0.33
FGFR1 P11362 1/20 0.33
CXCR2 P25025 1/20 0.33

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
SCHEMBL2009844 0.80 KEAP1 (0.38) MEN1ALDH1A1KMT2ATDP1NR4A2
SCHEMBL28298266 0.79 MEN1 (0.61) MEN1ALDH1A1KMT2ATDP1MAPT
SCHEMBL2008640 0.79 PSIP1 (0.36) MEN1ALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL30505727 0.75 ALDH1A1 (0.55) MEN1ALDH1A1KMT2ATDP1MAPT
SCHEMBL8165575 0.75 NR4A2 (0.47) MEN1ALDH1A1KMT2ANR4A2MAPT
SCHEMBL3228979 0.74 TDP1 (0.46) MEN1ALDH1A1KMT2ATDP1NR4A2
SCHEMBL96214 0.73 ALDH1A1 (1.00) MEN1ALDH1A1KMT2ATDP1MAPT
SCHEMBL14017791 0.73 NR4A2 (0.50) MEN1ALDH1A1KMT2ANR4A2MAPT
Ammonia Solution, Strong SCHEMBL3225266 0.72 NR4A2 (0.45) MEN1ALDH1A1KMT2ATDP1NR4A2
SCHEMBL20655521 0.72 NR4A2 (0.45) TDP1NR4A2CXCL8PTGES2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964727-B2 N-({1-[(cis-1,4-dihydroxycyclohexyl)methyl]piperidin-4-yl}methyl)-1-isopropyl-5-methyl-2-oxo-1, 2-dihydroquinoline-3-carboxamide ethanedioate; gastroesophageal reflux disease, non-ulcer dyspepsia, functional dyspepsia, irritable bowel syndrome PFIZER INC. (US) 2011-06-21 US disclosed
US-7964727-B2 N-({1-[(cis-1,4-dihydroxycyclohexyl)methyl]piperidin-4-yl}methyl)-1-isopropyl-5-methyl-2-oxo-1, 2-dihydroquinoline-3-carboxamide ethanedioate; gastroesophageal reflux disease, non-ulcer dyspepsia, functional dyspepsia, irritable bowel syndrome PFIZER INC. (US) 2011-06-21 US disclosed
US-7964727-B2 N-({1-[(cis-1,4-dihydroxycyclohexyl)methyl]piperidin-4-yl}methyl)-1-isopropyl-5-methyl-2-oxo-1, 2-dihydroquinoline-3-carboxamide ethanedioate; gastroesophageal reflux disease, non-ulcer dyspepsia, functional dyspepsia, irritable bowel syndrome PFIZER INC. (US) 2011-06-21 US disclosed
EP-1689742-B1 QUINOLONECARBOXYLIC ACID COMPOUNDS HAVING 5-HT4 RECEPTOR AGONISTIC ACTIVITY PFIZER (US) 2010-03-17 EP disclosed
EP-1689742-B1 QUINOLONECARBOXYLIC ACID COMPOUNDS HAVING 5-HT4 RECEPTOR AGONISTIC ACTIVITY PFIZER (US) 2010-03-17 EP disclosed
US-20080255113-A1 Quinolonecarboxylic Acid Compounds Having 5-Ht4 Receptor Agonistic Activity KATO TOMOKI 2008-10-16 US disclosed
US-20080255113-A1 Quinolonecarboxylic Acid Compounds Having 5-Ht4 Receptor Agonistic Activity KATO TOMOKI 2008-10-16 US disclosed
US-20080255113-A1 Quinolonecarboxylic Acid Compounds Having 5-Ht4 Receptor Agonistic Activity KATO TOMOKI 2008-10-16 US disclosed
EP-1689742-A1 QUINOLONECARBOXYLIC ACID COMPOUNDS HAVING 5-HT4 RECEPTOR AGONISTIC ACTIVITY Pfizer, Inc. (US) 2006-08-16 EP disclosed
WO-2005049608-A1 QUINOLONECARBOXYLIC ACID COMPOUNDS HAVING 5-HT4 RECEPTOR AGONISTIC ACTIVITY PFIZER JAPAN, INC. (JP) 2005-06-02 WO disclosed
WO-2005049608-A1 QUINOLONECARBOXYLIC ACID COMPOUNDS HAVING 5-HT4 RECEPTOR AGONISTIC ACTIVITY PFIZER JAPAN, INC. (JP) 2005-06-02 WO 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 (1 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-20080255113-A1 Quinolonecarboxylic Acid Compounds Having 5-Ht4 Receptor Agonistic Activity HTR4, HRH4, HRH2 MEN1 4105/4885ALDH1A1 1518/4885KMT2A 3571/4885

“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.