SCHEMBL4091069

SCHEMBL4091069

CCN(CC)C(=O)c1cc2c(s1)-c1cc(Cl)cc(OCCCN(C)C)c1Oc1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.40
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
CHEK1 O14757 2/20 0.34
WEE1 P30291 2/20 0.34
HSP90AB1 P08238 1/20 0.34
CDK1 P06493 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL4091852 0.93 KDM4E (0.36) TP53MAPTSMN1; SMN2POLBKDM4E
SCHEMBL4097169 0.90 KDM4E (0.39) SMN1; SMN2KDM4EALDH1A1GAAHPGD
SCHEMBL4090997 0.89 KDM4E (0.36) TP53MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL4103520 0.88 KDM4E (0.39) TP53MAPTKDM4EALDH1A1GAA
SCHEMBL4090920 0.83 KDM4E (0.36) MAPTSMN1; SMN2KDM4EALDH1A1CHEK1
SCHEMBL4105720 0.82 KDM4E (0.35) MAPTSMN1; SMN2KDM4EALDH1A1GAA
Citric Acid SCHEMBL4109472 0.81 KDM4E (0.38) TP53MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL4099405 0.78 HTR2A (0.35) TP53MAPTKDM4EALDH1A1TDP1
SCHEMBL5242696 0.74 HTR1B (0.41) KDM4E
SCHEMBL4044879 0.74 GAA (0.46) TP53MAPTSMN1; SMN2POLBKDM4E

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-20090221687-A1 Tetracyclic Monoamine Reuptake Inhibitors for Treatment of Cns Diseases and Disorders GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB (HR) 2009-09-03 US claimed
US-20090221687-A1 Tetracyclic Monoamine Reuptake Inhibitors for Treatment of Cns Diseases and Disorders GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB (HR) 2009-09-03 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-20090221687-A1 Tetracyclic Monoamine Reuptake Inhibitors for Treatment of Cns Diseases and Disorders MAOB, MAOA, TPH1 TP53 4885/4885MAPT 102/4885SMN1; SMN2 147/4885

“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.