SCHEMBL6869976

SCHEMBL6869976

C[CH]c1ccc(-n2cncn2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.70
ALDH1A1 P00352 4/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
FBP1 P09467 1/20 0.55
MAPT P10636 4/20 0.51
HSP90AA1 P07900 1/20 0.51
HTT P42858 1/20 0.51
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2A6 P11509 1/20 0.46
CYP3A4 P08684 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
F2 P00734 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPK10 P53779 1/20 0.37
CYP11B2 P19099 1/20 0.36
BRS3 P32247 1/20 0.36
HTR1A P08908 1/20 0.36

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
SCHEMBL951176 0.82 ALDH1A1 (1.00) KDM4EALDH1A1SMN1; SMN2FBP1MAPT
SCHEMBL14321150 0.81 KDM4E (0.70) KDM4EALDH1A1SMN1; SMN2FBP1MAPT
SCHEMBL6702626 0.78 KDM4E (0.66) KDM4EALDH1A1SMN1; SMN2FBP1MAPT
SCHEMBL82347 0.78 SMN1; SMN2 (0.60) KDM4EALDH1A1SMN1; SMN2FBP1MAPT
SCHEMBL1609843 0.77 KDM4E (0.64) KDM4EALDH1A1SMN1; SMN2FBP1MAPT
SCHEMBL6876185 0.75 KDM4E (0.72) KDM4EALDH1A1SMN1; SMN2FBP1MAPT
SCHEMBL6876178 0.75 KDM4E (0.72) KDM4EALDH1A1SMN1; SMN2FBP1MAPT
SCHEMBL6847982 0.74 KDM4E (0.60) KDM4EALDH1A1SMN1; SMN2FBP1MAPT
SCHEMBL6847976 0.74 KDM4E (0.60) KDM4EALDH1A1SMN1; SMN2FBP1MAPT
SCHEMBL676377 0.74 SMN1; SMN2 (0.60) KDM4EALDH1A1SMN1; SMN2FBP1MAPT

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 2109/4885SMN1; SMN2 4073/4885

“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.