SCHEMBL4601278

SCHEMBL4601278

CCCCN(c1nc(NCCCCCC(=O)O)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.32
SCD O00767 1/20 0.32
GPR84 Q9NQS5 7/20 0.31
PPARG P37231 7/20 0.31
PPARD Q03181 7/20 0.31
PPARA Q07869 7/20 0.31
HDAC11 Q96DB2 5/20 0.31
TSHR P16473 4/20 0.31
PTPN1 P18031 3/20 0.31
ALDH1A1 P00352 2/20 0.31
TLR2 O60603 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
FABP4 P15090 2/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
SLC22A8 Q8TCC7 1/20 0.31
MEN1 O00255 1/20 0.31
ESR1 P03372 1/20 0.31
ALOX15 P16050 1/20 0.31
PDE4A P27815 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4601184 0.98 SCD (0.34) PLA2G2ASCDGPR84PPARGPPARD
SCHEMBL9367814 0.91 DNM2 (0.34) KMT2A
SCHEMBL13415271 0.90 DNM2 (0.36) KMT2A
SCHEMBL3133092 0.90 DNM2 (0.36) KMT2A
SCHEMBL13415272 0.90 DNM2 (0.36) KMT2A
SCHEMBL9089900 0.89
SCHEMBL3145900 0.87 DNM2 (0.36) KMT2A
SCHEMBL13415269 0.87 DNM2 (0.36) KMT2A
SCHEMBL3136072 0.87 SLC29A1 (0.33) MERTK
SCHEMBL9091672 0.85 SLC29A1 (0.35) KMT2A

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-20080251758-A1 Triazine Compounds Comprising Substituents Containing Amino Groups and Carboxyl Groups EVONIK DEGUSSA GMBH (DE) 2008-10-16 US disclosed
EP-1948640-A2 TRIAZINE COMPOUNDS COMPRISING SUBSTITUENTS CONTAINING AMINO GROUPS AND CARBOXYL GROUPS Evonik Degussa GmbH (DE) 2008-07-30 EP disclosed
WO-2007057265-A2 TRIAZINE COMPOUNDS COMPRISING SUBSTITUENTS CONTAINING AMINO GROUPS AND CARBOXYL GROUPS EVONIK DEGUSSA GMBH (DE) 2007-05-24 WO disclosed
EP-1787989-A1 Triazine derivatives containing amino and carboxylic acic group Degussa GmbH (DE) 2007-05-23 EP 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-20080251758-A1 Triazine Compounds Comprising Substituents Containing Amino Groups and Carboxyl Groups GTF3C5, BAZ2A, AADAC PLA2G2A 4415/4885SCD 4126/4885GPR84 826/4885

“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.