SCHEMBL322827

SCHEMBL322827

NC(CO)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
CYP1A2 P05177 1/20 0.58
PTGS1 P23219 1/20 0.58
SLC6A2 P23975 1/20 0.58
CYP2C19 P33261 1/20 0.58
PTGS2 P35354 1/20 0.58
SLC6A3 Q01959 1/20 0.58
HIF1A Q16665 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
MAOB P27338 2/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
MAOA P21397 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PRKCA P17252 2/20 0.53
PRKCD Q05655 2/20 0.53
BCHE P06276 1/20 0.53
LTA4H P09960 2/20 0.53

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
SCHEMBL6568552 1.00 LMNA (0.58) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL8866173 0.85 LTA4H (0.62) LMNACYP1A2PTGS1SLC6A2CYP2C19
Hydrochloric Acid SCHEMBL8865569 0.83 LTA4H (0.60) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL9054167 0.83 LTA4H (0.65) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL7766511 0.83 MAOB (0.56) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL2731334 0.83 PRKCA (0.68) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL15499831 0.83 LMNA (0.61) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL2995320 0.83 KMT2A (0.72) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL5720973 0.83 KMT2A (0.72) LMNACYP1A2PTGS1SLC6A2CYP2C19
Hydrochloric Acid SCHEMBL9054687 0.82 LTA4H (0.63) LMNACYP1A2PTGS1SLC6A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102260224-B Method for synthesizing 2-morpholone derivatives UNIV NANJING INF SCI & TECH 2013-04-17 CN claimed
CN-102260224-A Method for synthesizing 2-morpholone derivatives 2011-11-30 CN claimed
US-20180370966-A1 METHODS OF TREATMENT USING PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2018-12-27 US disclosed
US-9873693-B2 Methods of treatment using pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2018-01-23 US disclosed
US-8778977-B2 Pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
EP-2038272-B1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS INC (US) 2013-09-04 EP disclosed
EP-2590954-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-05-15 EP disclosed
CN-102260224-B Method for synthesizing 2-morpholone derivatives UNIV NANJING INF SCI & TECH 2013-04-17 CN disclosed
WO-2012004375-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2012-01-12 WO disclosed
CN-102260224-A Method for synthesizing 2-morpholone derivatives 2011-11-30 CN disclosed
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHAMACEUTICALS (US) 2010-06-10 US disclosed
EP-2038272-A2 PYRIDINONYL PDK1 INHIBITORS Sunesis Pharmaceuticals, Inc. (US) 2009-03-25 EP disclosed
WO-2008005457-A2 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS (US) 2008-01-10 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-20180370966-A1 METHODS OF TREATMENT USING PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 LMNA 2375/4885CYP1A2 4714/4885PTGS1 2597/4885
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 LMNA 3293/4885CYP1A2 4561/4885PTGS1 2311/4885

“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.