SCHEMBL3229715

SCHEMBL3229715

CCCCCC(N)Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.45
LTA4H P09960 2/20 0.44
SLC2A1 P11166 1/20 0.41
CNR2 P34972 1/20 0.41
SLC7A5 Q01650 1/20 0.39
SLC6A4 P31645 2/20 0.39
MLNR O43193 1/20 0.39
NR1I2 O75469 1/20 0.39
ESR1 P03372 1/20 0.39
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
ADRB2 P07550 1/20 0.39
CHRM2 P08172 1/20 0.39
ADRB1 P08588 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 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
SCHEMBL10591586 0.98 CSNK1E (0.47) CSNK1ELTA4HSLC2A1CNR2SLC7A5
SCHEMBL3222538 0.98 CSNK1E (0.47) CSNK1ELTA4HSLC2A1CNR2SLC7A5
SCHEMBL3213449 0.98 CSNK1E (0.47) CSNK1ELTA4HSLC2A1CNR2SLC7A5
SCHEMBL3229708 0.94 LTA4H (0.44) CSNK1ELTA4HCNR2SLC7A5SLC6A4
SCHEMBL3227309 0.86 SLC6A4 (0.41) LTA4HSLC7A5SLC6A4MAOALMNA
SCHEMBL27624167 0.85 CSNK1E (0.43) CSNK1ELTA4HSLC2A1CNR2SLC6A4
SCHEMBL3483450 0.85 SLC2A1 (0.40) CSNK1ELTA4HSLC2A1CNR2SLC7A5
SCHEMBL3483448 0.85 SLC2A1 (0.40) CSNK1ELTA4HSLC2A1CNR2SLC7A5
SCHEMBL15500085 0.82 SLC2A1 (0.46) CSNK1ESLC2A1OPRM1HTT
SCHEMBL4445054 0.81 LTA4H (0.47) CSNK1ELTA4HCNR2SLC7A5SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501939-B2 Compounds derived from triazine chemistry are known to be useful for the affinity purification of proteins; compounds derivatised with linear, branched or cyclic alkyl groups and devoid of any additional hydrophilic or charged or groups, are especially useful for the purification of proteins with hydroph PROMETIC BIOSCIENCES LIMITED (GB) 2013-08-06 US disclosed
US-8450348-B2 Such as 3-[6-(4-Chloro-phenoxy)-hexylamino]-4-(pyridin-4-ylamino)-cyclobut-3-ene-1,2-dione; cancer, tumors; reduced side effects FORMA TM, LLC (US) 2013-05-28 US disclosed
WO-2010004016-A1 USE OF PHENOXYALKYLAMINES IN COSMETIC AND/OR DERMATOLOGICAL COMPOSITIONS L'OREAL (FR) 2010-01-14 WO disclosed
US-20080207876-A1 Triazines and Pyrimidines as Protein Binding Ligands PROMETIC BIOSCIENCES LIMITED (GB) 2008-08-28 US disclosed
US-20080200523-A1 Derivatives of squaric acid with anti-proliferative activity Valo Health, LLC 2008-08-21 US disclosed
CN-101203497-A Triazines as protein binding ligands PROMETIC BIOSCIENCES LTD (GB) 2008-06-18 CN 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 (2 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-20080207876-A1 Triazines and Pyrimidines as Protein Binding Ligands NR4A2, NR5A2, NR2C2 CSNK1E 1874/4885LTA4H 3596/4885SLC2A1 2423/4885
US-20080200523-A1 Derivatives of squaric acid with anti-proliferative activity SQLE, FDFT1, DLD CSNK1E 2830/4885LTA4H 3588/4885SLC2A1 621/4885

“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.