SCHEMBL6330224

SCHEMBL6330224

CCCCC(=O)NC(C)(C(=O)O)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
FAAH O00519 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPK1 P28482 1/20 0.42
HRH3 Q9Y5N1 1/20 0.37
HSP90AA1 P07900 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
GRK2 P25098 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PLA2G10 O15496 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
NOD1 Q9Y239 1/20 0.35

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
SCHEMBL13218358 0.79 PIK3CD (0.55) ALDH1A1FAAHMEN1KMT2AMAPK1
SCHEMBL2049323 0.78 ALDH1A1 (0.49) ALDH1A1FAAHMEN1KMT2AHRH3
SCHEMBL9672550 0.77 ALDH1A1 (0.52) ALDH1A1FAAHMEN1KMT2AMAPK1
SCHEMBL27735475 0.76 CYP1A2 (0.39) MAPK1
SCHEMBL27735477 0.76 CYP1A2 (0.39) MAPK1
SCHEMBL9462903 0.74 ALDH1A1 (0.57) ALDH1A1FAAHMEN1KMT2AMAPK1
SCHEMBL9829055 0.73 ALDH1A1 (0.47) ALDH1A1FAAHMEN1KMT2AMAPK1
SCHEMBL871714 0.73 ALDH1A1 (0.52) ALDH1A1FAAHMEN1KMT2AMAPK1
SCHEMBL9829061 0.73 ALDH1A1 (0.47) ALDH1A1FAAHMEN1KMT2AMAPK1
SCHEMBL6330220 0.73 ALDH1A1 (0.56) ALDH1A1FAAHMEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6943163-B2 7-Alkyl and cycloalkyl-substituted imidazotriazinones BAYER AKTIENGESELLSCHAFT (DE) 2005-09-13 US disclosed
US-20050049250-A1 7-Aikyl and cycloalkyl-substituted imidazotriazinones BAYER AKTIENGESELLSCHAFT (DE) 2005-03-03 US disclosed
US-6838459-B1 7-alkyl-and cycloalkyl-substituted imidazotriazinones BAYER AKTIENGESELLSCHAFT (DE) 2005-01-04 US disclosed
US-6476029-B1 7-alkyl- and cycloalkyl-substituted imidazotriazinones BAYER AKTIENGESELLSCHAFT (DE) 2002-11-05 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-20050049250-A1 7-Aikyl and cycloalkyl-substituted imidazotriazinones PDE3A, PDE2A, PDE3B ALDH1A1 537/4885FAAH 1107/4885MEN1 4113/4885

“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.