SCHEMBL9108725

SCHEMBL9108725

CC(C)CC(C(=O)Nc1cnccn1)N1C(=O)Cc2c(Cl)cccc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
FFAR2 O15552 1/20 0.41
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
PSMB5 P28074 3/20 0.39
GCK P35557 3/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 1/20 0.36
KCNH2 Q12809 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 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
SCHEMBL9908082 1.00 KDM4E (0.43) KDM4EFFAR2GAATHRBPSMB5
SCHEMBL9107359 0.89 RAB9A (0.44) KDM4EFFAR2GCKRAB9ANPC1
SCHEMBL9107698 0.85 GCK (0.50) KDM4EGAATHRBGCKKCNH2
SCHEMBL9908081 0.85 GCK (0.50) KDM4EGAATHRBGCKKCNH2
SCHEMBL9106900 0.83 KDM4E (0.44) KDM4EFFAR2GAATHRBPSMB5
SCHEMBL9908079 0.83 KDM4E (0.44) KDM4EFFAR2GAATHRBPSMB5
SCHEMBL9908083 0.82 SMN1; SMN2 (0.39) KDM4EGCKRAB9ANPC1MAPT
SCHEMBL9106629 0.81 FFAR2 (0.46) KDM4EFFAR2GAATHRBGCK
SCHEMBL9106852 0.81 GCK (0.61) FFAR2GCKKMT2AMEN1
SCHEMBL9108403 0.81 FFAR2 (0.46) KDM4EFFAR2GAATHRBGCK

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 KDM4E 4421/4885FFAR2 627/4885GAA 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.