SCHEMBL6871000

SCHEMBL6871000

NOCC=Cc1ccc(-n2cccn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPK1 P28482 1/20 0.54
IDO1 P14902 2/20 0.51
NOTUM Q6P988 1/20 0.46
CHRNA7 P36544 1/20 0.38
CHRNA10 Q9GZZ6 1/20 0.38
CHRNA9 Q9UGM1 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
HDAC4 P56524 1/20 0.36
CHRM1 P11229 1/20 0.35
MPO P05164 1/20 0.34
LMNA P02545 1/20 0.34
NLRP3 Q96P20 2/20 0.33
PTPN1 P18031 2/20 0.33
NAMPT P43490 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL6870994 1.00 KDM4E (0.54) KDM4EALDH1A1MAPK1IDO1NOTUM
SCHEMBL11410050 0.81 KDM4E (0.72) KDM4EALDH1A1MAPK1NOTUMCHRNA7
SCHEMBL10653293 0.81 KDM4E (0.72) KDM4EALDH1A1MAPK1NOTUMCHRNA7
SCHEMBL6847993 0.80 ALDH1A1 (0.58) KDM4EALDH1A1MAPK1NOTUMCHRNA7
SCHEMBL6847991 0.80 ALDH1A1 (0.58) KDM4EALDH1A1MAPK1NOTUMCHRNA7
SCHEMBL8828340 0.75 KDM4E (0.56) KDM4EALDH1A1MAPK1NOTUMCHRNA7
SCHEMBL8828345 0.75 KDM4E (0.56) KDM4EALDH1A1MAPK1NOTUMCHRNA7
SCHEMBL21428687 0.74 KDM4E (0.64) KDM4EALDH1A1MAPK1NOTUMCHRNA7
SCHEMBL16549641 0.74 KDM4E (0.64) KDM4EALDH1A1MAPK1NOTUMCHRNA7
SCHEMBL4818138 0.74 KDM4E (0.64) KDM4EALDH1A1MAPK1NOTUMCHRNA7

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-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
US-20030220272-A1 6-O-acyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-27 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-20030220272-A1 6-O-acyl ketolide antibacterials Q6ZSR9, ACSL6, RPS4Y1 KDM4E 18/4885ALDH1A1 2109/4885MAPK1 3244/4885

“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.