SCHEMBL6877834

SCHEMBL6877834

NOC/C=C/c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.61
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53
CHRNB2 P17787 2/20 0.53
CHRNA4 P43681 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CHRNB4 P30926 1/20 0.53
CHRNA3 P32297 1/20 0.53
CHRNA7 P36544 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
ALOX15 P16050 1/20 0.53
CYP2C19 P33261 1/20 0.53
TBXAS1 P24557 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
JUN P05412 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL6877840 1.00 IDO1 (0.61) IDO1CYP11B1CYP11B2CHRNB2CHRNA4
SCHEMBL3731657 0.79 CYP11B2 (0.59) CYP11B1CYP11B2CHRNB2CHRNA4MEN1
SCHEMBL3731659 0.79 CYP11B2 (0.59) CYP11B1CYP11B2CHRNB2CHRNA4MEN1
SCHEMBL1797212 0.79 KMT2A (0.50) CYP11B1CYP11B2CHRNB2CHRNA4MEN1
SCHEMBL13699212 0.79 CHRNB2 (0.54) CYP11B1CYP11B2CHRNB2CHRNA4MEN1
SCHEMBL10276665 0.79 MAPT (0.53) CYP11B1CYP11B2CHRNB2CHRNA4MEN1
SCHEMBL1797208 0.78 KMT2A (0.49) CYP11B1CYP11B2CHRNB2CHRNA4MEN1
SCHEMBL13957057 0.78 CHRNB2 (0.53) CYP11B1CYP11B2CHRNB2CHRNA4MEN1
SCHEMBL1797210 0.78 KMT2A (0.49) CYP11B1CYP11B2CHRNB2CHRNA4MEN1
SCHEMBL25584021 0.78 CHRNB2 (0.57) CYP11B1CYP11B2CHRNB2CHRNA4MEN1

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-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
EP-1453847-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-09-08 EP disclosed
US-20030220272-A1 6-O-acyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-27 US disclosed
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 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-20030220272-A1 6-O-acyl ketolide antibacterials Q6ZSR9, ACSL6, RPS4Y1 IDO1 1322/4885CYP11B1 3301/4885CYP11B2 3872/4885

“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.