SCHEMBL17549804

SCHEMBL17549804

O=c1[nH]cc(-c2ccncc2)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.60
CDC7 O00311 7/20 0.43
PDE3B Q13370 3/20 0.43
PDE3A Q14432 3/20 0.43
MAPK14 Q16539 1/20 0.43
GCGR P47871 1/20 0.42
PDPK1 O15530 1/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
AURKA O14965 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL7008984 0.78 ALDH1A1 (0.59) MAPTLMNAKDM4EMEN1ALDH1A1
SCHEMBL22423310 0.77 CYP2A6 (0.53) MAPTLMNAKDM4EAURKAALDH1A1
SCHEMBL15568639 0.75 HDAC8 (1.00) HDAC8CDC7GCGRPDPK1MAPT
SCHEMBL9052074 0.75 ATAD2 (0.48) MAPTLMNAKDM4EMEN1ALDH1A1
SCHEMBL8350984 0.75 ERCC1 (0.47) MAPK14MAPTLMNAKDM4EMEN1
SCHEMBL8356630 0.75 ALDH1A1 (0.48) GCGRMAPTKDM4EMEN1ALDH1A1
SCHEMBL30527121 0.74 CCNC (0.47) CDC7PDE3BPDE3ACYP3A4CYP2C9
SCHEMBL13977458 0.69 GCGR (0.74) HDAC8CDC7MAPK14GCGRPDPK1
SCHEMBL7536764 0.67 BTK (0.51) MAPTLMNAKDM4EALDH1A1CYP1A2
SCHEMBL17797070 0.67 SMN1; SMN2 (0.68) HDAC8CDC7PDE3BPDE3AGCGR

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-20160060679-A1 COMPOUNDS, SUBSTRATES AND METHODS RELATED TO HISTONE DEACETYLASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-03 US disclosed
US-20160060679-A1 COMPOUNDS, SUBSTRATES AND METHODS RELATED TO HISTONE DEACETYLASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-03 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-20160060679-A1 COMPOUNDS, SUBSTRATES AND METHODS RELATED TO HISTONE DEACETYLASES HDAC1, HDAC11, HDAC10 HDAC8 20/4885CDC7 2064/4885PDE3B 4430/4885

“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.