SCHEMBL6878313

SCHEMBL6878313

COC(=O)/C=C/c1cnc(-c2ccccc2)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
KMT2A Q03164 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
IP6K1 Q92551 1/20 0.50
IP6K3 Q96PC2 1/20 0.50
IP6K2 Q9UHH9 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
TYR P14679 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
FDPS P14324 1/20 0.46
HPGDS O60760 1/20 0.46
TTR P02766 1/20 0.45
APP P05067 1/20 0.45
MAPT P10636 2/20 0.44
PTPN1 P18031 1/20 0.43
MEN1 O00255 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
SCHEMBL6878322 1.00 KDM4E (0.62) KDM4EKMT2ASMN1; SMN2IP6K1IP6K3
Dioxane SCHEMBL6850729 0.92 KMT2A (0.54) KDM4EKMT2ASMN1; SMN2IP6K1IP6K3
SCHEMBL6850723 0.89 KMT2A (0.51) KDM4EKMT2ASMN1; SMN2IP6K1IP6K3
SCHEMBL27880562 0.83 KDM4E (0.50) KDM4EKMT2ASMN1; SMN2IP6K1IP6K3
SCHEMBL1952741 0.83 KDM4E (0.50) KDM4EKMT2ASMN1; SMN2IP6K1IP6K3
SCHEMBL12547458 0.82 KDM4E (0.49) KDM4EKMT2ASMN1; SMN2IP6K1IP6K3
SCHEMBL17086136 0.80 PTGS1 (0.46) KDM4ESMN1; SMN2HPGDSMAPTRAB9A
SCHEMBL28522678 0.80 PTGS1 (0.46) KDM4ESMN1; SMN2HPGDSMAPTRAB9A
SCHEMBL4833218 0.79 CA12 (0.66) KDM4EKMT2ASMN1; SMN2IP6K1IP6K3
SCHEMBL4833224 0.79 CA12 (0.66) KDM4EKMT2ASMN1; SMN2IP6K1IP6K3

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 18/4885KMT2A 565/4885SMN1; 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.