SCHEMBL1966535

SCHEMBL1966535

O=C(O)c1cncnc1-c1cc(Cl)cc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 3/20 0.49
RXRA P19793 3/20 0.40
RXRB P28702 3/20 0.40
TPMT P51580 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
HCAR2 Q8TDS4 2/20 0.37
AKR1C4 P17516 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
FTO Q9C0B1 1/20 0.36
CYP3A4 P08684 1/20 0.36
RXRG P48443 1/20 0.35
TTR P02766 1/20 0.35
ALB P02768 1/20 0.35
MAOA P21397 1/20 0.35
CNR1 P21554 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
SCHEMBL1970118 0.84 KMO (0.50) KMOCSNK2A2CSNK2BCYP3A4PDE4D
SCHEMBL6490977 0.83 CSNK2A2 (0.49) KMOCSNK2A2CSNK2BCYP3A4CNR1
SCHEMBL1967616 0.80 KMO (0.57) KMOHCRTR1HCRTR2FTOPDE4D
SCHEMBL1968241 0.77 LDHA (0.44) CYP3A4ALDH1A1TSHRHPGD
SCHEMBL1970075 0.76 KMO (0.44) KMOCSNK2A2CSNK2BHCRTR1HCRTR2
SCHEMBL26081233 0.76 KDM4E (0.45) CSNK2A2CSNK2BHCAR2CYP3A4ALDH1A1
SCHEMBL7019876 0.75 ALDH1A1 (0.49) AKR1C4AKR1C3AKR1C2AKR1C1CNR1
SCHEMBL1966659 0.74 KMO (0.43) KMORXRARXRBTPMTHCRTR1
SCHEMBL1968017 0.73 KDM4E (0.44) CSNK2A2CSNK2BCYP3A4ALDH1A1HSD17B10
SCHEMBL1972138 0.73 GAA (0.47) HCRTR1HCRTR2AKR1C3AKR1C2AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 KMO 1349/4885RXRA 646/4885RXRB 657/4885

“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.