SCHEMBL6735876

SCHEMBL6735876

N#Cc1ccccc1Oc1ccc(NCc2cccnc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.68
LTA4H P09960 1/20 0.55
CYP3A4 P08684 4/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
CYP19A1 P11511 2/20 0.52
ALDH1A1 P00352 4/20 0.51
HPGD P15428 2/20 0.50
MEN1 O00255 1/20 0.50
THRB P10828 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NOTUM Q6P988 1/20 0.48
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL11213631 0.83 LTA4H (0.60) MAPK14LTA4HCYP3A4CYP1A2CYP2C9
SCHEMBL6730999 0.81 LTA4H (0.58) LTA4HCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL6727553 0.81 LTA4H (0.58) LTA4HCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL6833672 0.81 LTA4H (0.73) LTA4HCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL6735252 0.79 MEN1 (0.52) MAPK14LTA4HCYP3A4CYP1A2CYP2C9
SCHEMBL10558180 0.76 CYP3A4 (0.68) LTA4HCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL3581554 0.76 ALDH1A1 (0.73) MAPK14CYP3A4CYP19A1ALDH1A1TDP1
SCHEMBL30390353 0.76 ALDH1A1 (0.73) MAPK14CYP3A4CYP19A1ALDH1A1TDP1
SCHEMBL7423017 0.76 LTA4H (0.60) LTA4HCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL24517122 0.75 SCN9A (0.62) LTA4HCYP3A4CYP1A2CYP2C9CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6800651-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY 2004-10-05 US disclosed
US-20040006114-A1 Potentiators of glutamate receptors ELI LILLY AND COMPANY 2004-01-08 US disclosed
EP-1255735-A2 PYRIDINE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2002-11-13 EP disclosed
WO-2001056990-A2 PYRIDINE DERIVATES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2001-08-09 WO 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-20040006114-A1 Potentiators of glutamate receptors GRM1, GRIN1, GRM2 MAPK14 3282/4885LTA4H 1721/4885CYP3A4 2786/4885

“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.