SCHEMBL2774048

SCHEMBL2774048

CCOC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.70
GAA P10253 2/20 0.65
PKM P14618 2/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
MAPT P10636 10/20 0.65
HTT P42858 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
MAPK1 P28482 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
ABCB1 P08183 1/20 0.64
ABCG2 Q9UNQ0 1/20 0.64
TP53 P04637 1/20 0.60
LMNA P02545 1/20 0.58
POLB P06746 2/20 0.58
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
GPR174 Q9BXC1 1/20 0.56

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
SCHEMBL14804776 0.99 ALDH1A1 (0.71) ALDH1A1GAAPKML3MBTL1MAPT
SCHEMBL3436203 0.88 MAPT (0.73) ALDH1A1L3MBTL1MAPTHTTSMN1; SMN2
SCHEMBL28017069 0.88 ALDH1A1 (0.59) ALDH1A1GAAPKML3MBTL1MAPT
SCHEMBL195322 0.86 ALDH1A1 (0.70) ALDH1A1GAAPKML3MBTL1MAPT
SCHEMBL17302741 0.84 ALDH1A1 (0.67) ALDH1A1GAAPKML3MBTL1MAPT
SCHEMBL2417353 0.82 GPR174 (0.59) ALDH1A1GAAPKMMAPTHTT
SCHEMBL15801120 0.82 ALDH1A1 (0.75) ALDH1A1GAAPKML3MBTL1MAPT
SCHEMBL31588079 0.82 ALDH1A1 (0.75) ALDH1A1GAAPKML3MBTL1MAPT
SCHEMBL17303454 0.82 ALDH1A1 (0.79) ALDH1A1GAAPKML3MBTL1MAPT
SCHEMBL29805521 0.80 ALDH1A1 (0.77) ALDH1A1GAAPKML3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2594555-B1 HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR ASKA PHARM CO LTD (JP) 2018-03-07 EP disclosed
EP-2594555-B1 HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR ASKA PHARM CO LTD (JP) 2018-03-07 EP disclosed
EP-2193125-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-01-11 EP disclosed
US-9200008-B2 Heterocyclic compound and p27Kip1 degradation inhibitor ASKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-01 US disclosed
US-9200008-B2 Heterocyclic compound and p27Kip1 degradation inhibitor ASKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-01 US disclosed
US-9200008-B2 Heterocyclic compound and p27Kip1 degradation inhibitor ASKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-01 US disclosed
EP-2594555-A1 HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR ASKA Pharmaceutical Co., Ltd. (JP) 2013-05-22 EP disclosed
EP-2594555-A1 HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR ASKA Pharmaceutical Co., Ltd. (JP) 2013-05-22 EP disclosed
US-20130079306-A1 HETEROCYCLIC COMPOUND AND p27Kip1 DEGRADATION INHIBITOR ASKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-28 US disclosed
US-20130079306-A1 HETEROCYCLIC COMPOUND AND p27Kip1 DEGRADATION INHIBITOR ASKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-28 US disclosed
US-20130079306-A1 HETEROCYCLIC COMPOUND AND p27Kip1 DEGRADATION INHIBITOR ASKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-28 US disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
WO-2012002527-A1 HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR あすか製薬株式会社 (JP) 2012-01-05 WO disclosed
CN-101970420-A Oxadiazole derivatives MERCK SERONO SA 2011-02-09 CN disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
EP-2193125-A2 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2010-06-09 EP disclosed
WO-2009043889-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2009-04-09 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 (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-20130079306-A1 HETEROCYCLIC COMPOUND AND p27Kip1 DEGRADATION INHIBITOR CDKN1A, SKP2, CCNI ALDH1A1 1594/4885GAA 3220/4885PKM 1602/4885
US-20100240658-A1 Oxadiazole Derivatives OXA1L, RO60, NQO2 ALDH1A1 516/4885GAA 3886/4885PKM 4320/4885

“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.