SCHEMBL14089906

SCHEMBL14089906

CC(=N)Nc1ccc(-c2ccc(-c3ccc(NC(=N)N)cc3Cl)o2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.44
TDP1 Q9NUW8 2/20 0.37
RAB9A P51151 1/20 0.37
HPSE Q9Y251 6/20 0.37
IMPDH2 P12268 2/20 0.36
MAPT P10636 2/20 0.36
IMPDH1 P20839 1/20 0.36
S1PR2 O95136 1/20 0.35
S1PR4 O95977 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
PTPN22 Q9Y2R2 1/20 0.34
APEX1 P27695 1/20 0.34

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
SCHEMBL14089894 0.93 ESR1 (0.50) ESR1HPSEIMPDH2MAPTIMPDH1
Hydrochloric Acid SCHEMBL3363806 0.91 ESR1 (0.49) ESR1HPSEIMPDH2MAPTIMPDH1
SCHEMBL14400800 0.85 HTR3E (0.46) ESR1HPSEIMPDH2MAPTIMPDH1
SCHEMBL14089905 0.84 ESR1 (0.45) ESR1IMPDH2MAPTIMPDH1LMNA
SCHEMBL14089909 0.81 MEN1 (0.42) IMPDH2MAPTIMPDH1ALDH1A1HPGD
SCHEMBL14089903 0.80 IMPDH2 (0.40) TDP1IMPDH2MAPTIMPDH1LMNA
SCHEMBL6748327 0.78 ESR1 (0.50) ESR1TDP1IMPDH2MAPTIMPDH1
Hydrochloric Acid SCHEMBL3362652 0.77 ESR1 (0.49) ESR1TDP1IMPDH2MAPTIMPDH1
SCHEMBL14599577 0.76 ESR1 (0.51) ESR1TDP1IMPDH2MAPTIMPDH1
SCHEMBL14089900 0.76 NQO2 (0.49) TDP1MAPTALDH1A1HPGD

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 ESR1 2613/4885TDP1 3743/4885RAB9A 3027/4885

“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.