SCHEMBL9103500

SCHEMBL9103500

O=C(Nc1cnccn1)C(CC1CCCC1)N1C(=O)Cc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCK P35557 13/20 0.53
KCNH2 Q12809 1/20 0.44
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
PDF Q9HBH1 1/20 0.38
OPRM1 P35372 2/20 0.37
OPRL1 P41146 2/20 0.37
OPRK1 P41145 1/20 0.37

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
SCHEMBL9908077 1.00 GCK (0.53) GCKKCNH2GAATHRBCDK5
SCHEMBL9106417 0.89 GCK (0.53) GCKGAACDK5CDK5R1
SCHEMBL9908101 0.87 GCK (0.52) GCKKCNH2
SCHEMBL9105596 0.87 GCK (0.52) GCKKCNH2
SCHEMBL9908122 0.87 GCK (0.52) GCKKCNH2
SCHEMBL9107744 0.87 GCK (0.52) GCKKCNH2CDK5CDK5R1PDF
SCHEMBL9105190 0.87 GCK (0.52) GCKKCNH2
SCHEMBL9908123 0.87 GCK (0.52) GCKKCNH2CDK5CDK5R1PDF
SCHEMBL9105110 0.87 GCK (0.52) GCKKCNH2CDK5CDK5R1PDF
SCHEMBL9908095 0.87 GCK (0.52) GCKKCNH2CDK5CDK5R1PDF

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-20120142705-A1 ISATIN AND OXINDOLE COMPOUNDS KESTER ROBERT FRANCIS (US) 2012-06-07 US claimed
US-20120142705-A1 ISATIN AND OXINDOLE COMPOUNDS KESTER ROBERT FRANCIS (US) 2012-06-07 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-20120142705-A1 ISATIN AND OXINDOLE COMPOUNDS GPR119, INSR, OAT GCK 488/4885KCNH2 4401/4885GAA 1195/4885

“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.