SCHEMBL4097169

SCHEMBL4097169

CN(C)CCCOc1cc(Cl)cc2c1Oc1ccccc1-c1cc(C(=O)O)sc1-2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.39
ALDH1A1 P00352 5/20 0.36
GAA P10253 3/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NOTUM Q6P988 3/20 0.35
CHEK1 O14757 1/20 0.35
WEE1 P30291 1/20 0.35
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1B Q00975 1/20 0.35
HRH1 P35367 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) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL4090997 0.92 KDM4E (0.36) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL4091069 0.90 TP53 (0.40) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL4103520 0.90 KDM4E (0.39) KDM4EALDH1A1GAAHPGDCHEK1
SCHEMBL4090920 0.86 KDM4E (0.36) KDM4EALDH1A1SMN1; SMN2CHEK1WEE1
SCHEMBL4105720 0.85 KDM4E (0.35) KDM4EALDH1A1GAAHPGDSMN1; SMN2
Citric Acid SCHEMBL4109472 0.84 KDM4E (0.38) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL4044268 0.79 CACNA1B (0.45) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL4099405 0.77 HTR2A (0.35) KDM4EALDH1A1TDP1
SCHEMBL5242696 0.77 HTR1B (0.41) KDM4EHRH1

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 1 patent. 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 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 KDM4E 1376/4885ALDH1A1 469/4885GAA 146/4885

“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.