SCHEMBL1003650

SCHEMBL1003650

CC(C)CN(C)C(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.55
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TACR1 P25103 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46
ITK Q08881 3/20 0.45
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
PGR P06401 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
HTR2A P28223 1/20 0.44
HRH1 P35367 1/20 0.44

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
SCHEMBL29845593 0.87 KMT2A (0.49) NAMPTMEN1KMT2ATACR1HDAC1
SCHEMBL30644814 0.87 KMT2A (0.49) NAMPTMEN1KMT2ATACR1HDAC1
SCHEMBL16941093 0.85 NAMPT (0.56) NAMPTMEN1KMT2AHDAC1HDAC6
SCHEMBL11248977 0.85 KMT2A (0.47) NAMPTMEN1KMT2ATACR1HDAC1
SCHEMBL1004360 0.82 MLYCD (0.62) MEN1KMT2AHDAC1HDAC6MAPT
SCHEMBL8174284 0.82 ALDH1A1 (0.46) KMT2AHDAC1HDAC6NPC1MAPT
SCHEMBL31298035 0.82 CDK4 (0.49) NAMPTMEN1KMT2AHDAC1HDAC6
SCHEMBL17888005 0.81 LMNA (0.50) NAMPTMEN1KMT2ANPC1MAPT
SCHEMBL10128312 0.81 KDM4E (0.49) NAMPTKMT2AHTTMLYCD
SCHEMBL2321624 0.81 KMT2A (0.44) NAMPTMEN1KMT2ATACR1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242129-B2 6-phenylpyrimidinones as PIM modulators EXELIXIS, INC. (US) 2012-08-14 US claimed
US-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators EXELIXIS, INC. (US) 2010-06-03 US claimed
US-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-02-09 US disclosed
US-8920760-B2 Metal amidoborane compositions and processes for their preparation SIGMA-ALDRICH CO. LLC (US) 2014-12-30 US disclosed
US-8778219-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2014-07-15 US disclosed
US-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES UT-BATTELLE, LLC (US) 2013-12-19 US disclosed
US-8535560-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2013-09-17 US disclosed
WO-2011008664-A2 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES UT-BATTELLE, LLC (US) 2011-01-20 WO disclosed
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures UT-BATTELLE, LLC (US) 2011-01-20 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 (4 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-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES POU2F1, POU2F2, POF1B NAMPT 3267/4885MEN1 1717/4885KMT2A 3578/4885
US-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators PIM1, PIM2, PIM3 NAMPT 3139/4885MEN1 3946/4885KMT2A 1421/4885
US-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF CYP2B6, CBR3, CYP2A6 NAMPT 2256/4885MEN1 4820/4885KMT2A 2002/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B NAMPT 3267/4885MEN1 1717/4885KMT2A 3578/4885

“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.