SCHEMBL5282764

SCHEMBL5282764

N/N=C/c1c(Cl)cncc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
MAOB P27338 1/20 0.39
GRK2 P25098 12/20 0.37
HTT P42858 2/20 0.36
MAPT P10636 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
CDK2 P24941 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.34
GRK5 P34947 3/20 0.34
GRK3 P35626 3/20 0.34
SLC22A1 O15245 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CHRM1 P11229 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
MAOA P21397 1/20 0.32
DRD1 P21728 1/20 0.32

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
SCHEMBL1180294 0.78 NPSR1 (0.43) NPSR1GRK2HTTMAPTCDK5
SCHEMBL1180296 0.78 NPSR1 (0.43) NPSR1GRK2HTTMAPTCDK5
SCHEMBL10613416 0.72 SLC22A1 (0.57) NPSR1MAOBHTTLMNAGAA
SCHEMBL11887770 0.72 SLC22A1 (0.57) NPSR1MAOBHTTLMNAGAA
SCHEMBL2416474 0.70 APLNR (0.30) MAOB
SCHEMBL5258144 0.69 NPSR1 (0.34) NPSR1HTTMAPTCDK5CDK5R1
SCHEMBL320672 0.69 ALDH1A1 (0.52) NPSR1GRK2HTTMAPTCDK5
SCHEMBL14625071 0.69 NPSR1 (0.34) NPSR1HTTMAPTCDK5CDK5R1
SCHEMBL16856782 0.65 GAA (0.40) NPSR1CDK2GAA
SCHEMBL18971594 0.65 CDK2 (0.36) NPSR1CDK2GAA

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 NPSR1 769/4885MAOB 1566/4885GRK2 2/4885

“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.