SCHEMBL7416756

SCHEMBL7416756

CC(C)CC(=NO)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
MAPT P10636 3/20 0.51
KDM4E B2RXH2 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ATM Q13315 1/20 0.47
HPGD P15428 4/20 0.45
POLB P06746 1/20 0.45
XBP1 P17861 1/20 0.45
GPBAR1 Q8TDU6 1/20 0.44
HTT P42858 2/20 0.41
ALDH1A1 P00352 3/20 0.36
RECQL P46063 1/20 0.36
GAA P10253 2/20 0.36
GFER P55789 1/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL7822168 0.81 MAPT (0.43) SMN1; SMN2MAPTKDM4ETDP1KMT2A
SCHEMBL14073800 0.80 MAPT (0.49) SMN1; SMN2MAPTKDM4ETDP1MEN1
SCHEMBL17192803 0.76 KMT2A (0.38) SMN1; SMN2MAPTKDM4ETDP1MEN1
SCHEMBL264821 0.76 ATM (0.71) SMN1; SMN2MAPTKDM4EMEN1KMT2A
SCHEMBL2776027 0.76 ATM (0.71) SMN1; SMN2MAPTKDM4EMEN1KMT2A
SCHEMBL10041972 0.76 ATM (0.71) SMN1; SMN2MAPTKDM4EMEN1KMT2A
SCHEMBL9542830 0.75 ATM (0.40) SMN1; SMN2MAPTKDM4ETDP1MEN1
SCHEMBL17134258 0.75 NPSR1 (0.49) MEN1KMT2APOLBHTTALDH1A1
SCHEMBL17134257 0.75 NPSR1 (0.49) MEN1KMT2APOLBHTTALDH1A1
SCHEMBL18785495 0.74 DRD4 (0.45) SMN1; SMN2MAPTKDM4ETDP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104382924-B N6 substituted adenosines derivative and N6 substituted adenines derivatives and application thereof 中国医学科学院药物研究所 2017-12-22 CN disclosed
CN-102812033-B N6-substituted adenosine derivatives and N6-substituted adenine derivatives and uses thereof INSTITUTE OF MATARIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2015-11-25 CN disclosed
CN-104382924-A N6-substituted adenosine derivative and N6-substituted adenine derivative and application thereof INST MATERIA MEDICA CAMS 2015-03-04 CN disclosed
US-7423058-B2 Inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2008-09-09 US disclosed
US-20070142301-A1 Novel inhibitors of Hepatitis C virus NS3 protease MERCK SHARP & DOHME CORP. 2007-06-21 US disclosed
US-7205330-B2 Inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2007-04-17 US disclosed
US-5608069-A TREATMENT OF NERVOUS SYSTEM DISORDERS WITH GAMMA-AMINOBUTYRIC ACID NOVO NORDISK A/S (DK) 1997-03-04 US disclosed
CN-1128990-A N-substituted azaheterocyclic carboxylic acids and esters thereof NOVO NORDISK AS (DK) 1996-08-14 CN disclosed
EP-0705246-A1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS THEREOF NOVO NORDISK A/S (DK) 1996-04-10 EP disclosed
WO-1995000483-A1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS THEREOF NOVO NORDISK A/S (DK) 1995-01-05 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-20070142301-A1 Novel inhibitors of Hepatitis C virus NS3 protease HAVCR2, RNASE1, SERPINB1 SMN1; SMN2 3962/4885MAPT 4108/4885KDM4E 966/4885

“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.