SCHEMBL3535920

SCHEMBL3535920

COc1cc(C(=O)NC2CCC(N(C)C)CC2)c(F)cc1N

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 6/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.41
RIPK2 O43353 1/20 0.41
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
TLR9 Q9NR96 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
KDM1A O60341 1/20 0.40
PDE4B Q07343 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
SCHEMBL14221621 1.00 HTR4 (0.47) HTR4ALDH1A1KDM4EMEN1MAPT
SCHEMBL12388397 0.84 HTR4 (0.65) HTR4ALDH1A1KDM4EMEN1MAPT
SCHEMBL13575489 0.83 HTR4 (0.49) HTR4ALDH1A1KDM4EMEN1MAPT
SCHEMBL3541553 0.83 HPGD (0.52) HTR4HPGDRIPK2RAB9A
SCHEMBL1163804 0.82 KDM4E (0.51) HTR4ALDH1A1KDM4EMEN1MAPT
SCHEMBL13881168 0.81 KMT2A (0.47) HTR4KDM4EMEN1MAPTKMT2A
SCHEMBL13881180 0.81 HTR4 (0.51) HTR4ALDH1A1KDM4EMEN1MAPT
SCHEMBL3539061 0.80 KDM4E (0.69) HTR4KDM4EMEN1MAPTKMT2A
SCHEMBL13461285 0.79 HTR4 (0.46) HTR4ALDH1A1KDM4EMEN1MAPT
SCHEMBL3543970 0.79 TLR9 (0.52) HTR4MEN1KMT2ATLR9TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822434-B2 Compositions and methods to treat cardiac diseases THE UNIVERSITY OF CONNECTICUT (US) 2014-09-02 US disclosed
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2008040951-A1 COMPOUNDS ASTRAZENECA AB (SE) 2008-04-10 WO disclosed
WO-2008040951-A1 COMPOUNDS ASTRAZENECA AB (SE) 2008-04-10 WO disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 HTR4 3043/4885ALDH1A1 422/4885KDM4E 3977/4885

“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.