SCHEMBL5328745

SCHEMBL5328745

O=C(O)CNc1cccc(-n2cncn2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 1/20 0.47
BRD4 O60885 1/20 0.44
CREBBP Q92793 1/20 0.44
PTGER2 P43116 1/20 0.43
S1PR1 P21453 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CYP2A6 P11509 1/20 0.41
FABP4 P15090 3/20 0.38
CHRNA7 P36544 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
AKR1C3 P42330 1/20 0.38
LMNA P02545 1/20 0.37
PPARD Q03181 1/20 0.37
SMYD3 Q9H7B4 1/20 0.37
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
KEAP1 Q14145 1/20 0.36

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
SCHEMBL4457861 0.82 S1PR1 (0.47) GRK6BRD4CREBBPS1PR1CYP2A6
SCHEMBL5252164 0.80 HDAC1 (0.45) GRK6BRD4CREBBPS1PR1HDAC1
SCHEMBL5537719 0.80 LMNA (0.59) PTGER2LMNA
SCHEMBL14496404 0.77 GRK2 (0.64)
SCHEMBL6623794 0.77 GRK6 (0.47) GRK6BRD4CREBBPHDAC1HDAC6
SCHEMBL11493694 0.76 NOTUM (0.52) FABP4KDM4EALDH1A1AKR1C3LMNA
SCHEMBL1020544 0.75 CYP2A6 (0.49) GRK6BRD4CREBBPS1PR1HDAC1
SCHEMBL5325448 0.74 GRK2 (0.68)
SCHEMBL940731 0.74 MAOA (0.49) GRK6CYP2A6SMN1; SMN2KDM4EALDH1A1
SCHEMBL11926858 0.74 CYP2A6 (0.62) GRK6BRD4CREBBPHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135499-A1 Hydrazide compounds AERIE PHARMACEUTICALS, INC. (US) 2007-06-14 US disclosed
WO-2007008942-A2 PHENYLAMINO-ACETIC ACID [1-(PYRIDIN-4-YL)-METHYLIDENE]-HYDRAZIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF G PROTEIN-COUPLED RECEPTOR KINASES FOR THE TREATMENT OF EYE DISEASES AERIE PHARMACEUTICALS, INC. (US) 2007-01-18 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-20070135499-A1 Hydrazide compounds GRK4, GRK2, GRK1 GRK6 8/4885BRD4 1347/4885CREBBP 315/4885

“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.