SCHEMBL5537585

SCHEMBL5537585

C=NN(C(=O)CNc1cccc(C(=O)NCCN2CCOCC2)c1)c1c(Cl)cncc1Cl

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRK2 P25098 2/20 0.65
EPHX2 P34913 5/20 0.53
MAPK8 P45983 3/20 0.48
MAPK10 P53779 3/20 0.48
MAPK13 O15264 2/20 0.47
MAPK12 P53778 2/20 0.47
MAPK11 Q15759 2/20 0.47
MAPK14 Q16539 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
PDE4B Q07343 1/20 0.46
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL5533006 0.86 GRK2 (0.64) GRK2EPHX2MAPK8MAPK10MAPK13
SCHEMBL14496328 0.79 GRK2 (1.00) GRK2
SCHEMBL12514132 0.71 EPHX2 (0.73) GRK2EPHX2CYP2C9CYP2C19POLB
SCHEMBL14496412 0.71 GRK2 (1.00) GRK2EPHX2
SCHEMBL5539702 0.71 GRK2 (0.59) GRK2
SCHEMBL9312796 0.68 CYP2C19 (0.70) EPHX2CYP2C9CYP2C19POLBSMN1; SMN2
SCHEMBL9312802 0.68 CYP2C19 (0.71) EPHX2CYP2C9CYP2C19POLBSMN1; SMN2
SCHEMBL2720343 0.67 CYP2C19 (0.69) EPHX2CYP2C9CYP2C19POLBSMN1; SMN2
SCHEMBL279958 0.67 CYP2C19 (0.72) EPHX2CYP2C9CYP2C19POLBSMN1; SMN2
SCHEMBL29584690 0.67 CYP2C19 (0.69) EPHX2CYP2C9CYP2C19POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135499-A1 Hydrazide compounds AERIE PHARMACEUTICALS, INC. (US) 2007-06-14 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-20070135499-A1 Hydrazide compounds GRK4, GRK2, GRK1 GRK2 2/4885EPHX2 2838/4885MAPK8 1295/4885

“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.