SCHEMBL6420641

SCHEMBL6420641

OC[C@H](Nc1ccccn1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.69
HTT P42858 1/20 0.69
NPSR1 Q6W5P4 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
CYP2D6 P10635 2/20 0.53
SLC10A1 Q14973 1/20 0.48
FDPS P14324 1/20 0.47
MAPKAPK2 P49137 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 2/20 0.46
POLB P06746 1/20 0.46
TEAD4 Q15561 1/20 0.45
JMJD7 P0C870 1/20 0.45
TP53 P04637 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
FABP1 P07148 1/20 0.43

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
SCHEMBL6754929 1.00 KDM4E (0.69) KDM4EHTTNPSR1L3MBTL1CYP2D6
SCHEMBL6564769 0.83 KDM4E (0.69) KDM4EHTTNPSR1L3MBTL1CYP2D6
Hydrochloric Acid SCHEMBL6302647 0.81 KDM4E (0.67) KDM4EHTTNPSR1L3MBTL1CYP2D6
Alcohol SCHEMBL14813490 0.78 KDM4E (0.54) KDM4EHTTNPSR1L3MBTL1CYP2D6
SCHEMBL6421065 0.78 IDO1 (0.48) KDM4EHTTNPSR1L3MBTL1FDPS
SCHEMBL430689 0.77 MAPKAPK2 (0.54) KDM4ENPSR1CYP2D6MAPKAPK2CYP2C9
SCHEMBL27783713 0.77 MAPKAPK2 (0.54) KDM4ENPSR1CYP2D6MAPKAPK2CYP2C9
SCHEMBL20095129 0.77 MAPKAPK2 (0.54) KDM4ENPSR1CYP2D6MAPKAPK2CYP2C9
SCHEMBL21652270 0.75 KDM4E (0.55) KDM4EHTTNPSR1L3MBTL1CYP2D6
SCHEMBL7465452 0.75 FDPS (0.50) KDM4EHTTNPSR1L3MBTL1CYP2D6

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-20050256150-A1 Enantioselective acyl transfer catalysts and their use in kinetic resolution of alcohols and desymmetrization of meso-diols WASHINGTON UNIVERSITY 2005-11-17 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-20050256150-A1 Enantioselective acyl transfer catalysts and their use in kinetic resolution of alcohols and desymmetrization of meso-diols ADH5, DBI, ADH1A KDM4E 2445/4885HTT 1635/4885NPSR1 4087/4885

“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.