SCHEMBL14089909

SCHEMBL14089909

COc1cc(NC(C)=N)ccc1-c1ccc(-c2ccc(NC(=N)N)cc2OC)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
MCL1 Q07820 1/20 0.42
AAK1 Q2M2I8 9/20 0.41
IMPDH2 P12268 8/20 0.40
IMPDH1 P20839 2/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL14089892 0.95 AAK1 (0.44) MEN1ALDH1A1MAPTHPGDKMT2A
Hydrochloric Acid SCHEMBL3363887 0.93 AAK1 (0.44) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL14089905 0.82 ESR1 (0.45) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL14089906 0.81 ESR1 (0.44) ALDH1A1MAPTHPGDIMPDH2IMPDH1
SCHEMBL6752575 0.80 SLC9A1 (0.40) MEN1ALDH1A1KMT2AAAK1
SCHEMBL6751883 0.80 AAK1 (0.46) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL14089903 0.78 IMPDH2 (0.40) ALDH1A1MAPTIMPDH2IMPDH1
Hydrochloric Acid SCHEMBL6859794 0.78 IMPDH2 (0.61) MEN1KMT2AAAK1IMPDH2IMPDH1
SCHEMBL6170236 0.77 AAK1 (0.68) AAK1IMPDH2IMPDH1
SCHEMBL1184403 0.76 KMT2A (0.57) MEN1ALDH1A1MAPTKMT2AIMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7410999-B2 Compounds, methods and compositions useful for the treatment of bovine viral diarrhea virus (BVDV) infection and hepatitis C virus (HCV) infection UNIVERSITY OF NORTH CAROLINIA AT CHAPEL HILL (US) 2008-08-12 US disclosed
US-20070072877-A1 Compounds, methods and compositions useful for the treatment of bovine viral diarrhea virus (BVDV) infection and hepatitis C virus (HCV) infection NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-03-29 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 (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-20070072877-A1 Compounds, methods and compositions useful for the treatment of bovine viral diarrhea virus (BVDV) infection and hepatitis C virus (HCV) infection OAT, GYS2, HCCS MEN1 4855/4885ALDH1A1 493/4885MAPT 1442/4885

“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.