SCHEMBL6909700

SCHEMBL6909700

Cc1cc(-c2ccccc2)nc(OCCC2CNCCN2C2=COC(C3=CC=CCC3)=CO2)c1S(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.35
KDM4E B2RXH2 4/20 0.35
LMNA P02545 3/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 3/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
GLA P06280 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL4876361 0.82 KDM4E (0.38) NPSR1KDM4ELMNAALDH1A1GAA
SCHEMBL6909692 0.75 KDM4E (0.40) NPSR1KDM4ELMNAALDH1A1GAA
SCHEMBL614374 0.59
SCHEMBL7128136 0.57 ALDH1A1 (0.42) KDM4EALDH1A1TDP1
SCHEMBL4877091 0.56 HTR1A (0.35) TDP1
SCHEMBL18792381 0.56 LDHA (0.47) KDM4EALDH1A1MAPT
SCHEMBL4878997 0.56 HTR1A (0.34) MAPT
SCHEMBL7127123 0.56 SIRT3 (0.32) KDM4ELMNAALDH1A1
SCHEMBL7130709 0.56 L3MBTL1 (0.41) NPSR1KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL7939819 0.54 HRH4 (0.33)

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-20040248883-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2004-12-09 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-20040248883-A1 Novel heteroaryl derivatives, their preparation and use GRIN2C, GRIN2B, HTR1A NPSR1 67/4885KDM4E 3350/4885LMNA 3553/4885

“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.