SCHEMBL6847994

SCHEMBL6847994

NOC/C=C/c1ccc(-c2cnccn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
CYP2D6 P10635 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TSHR P16473 3/20 0.38
MAPT P10636 2/20 0.38
PIM2 Q9P1W9 2/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 1/20 0.36
PIM1 P11309 1/20 0.34
PORCN Q9H237 2/20 0.33
BRS3 P32247 1/20 0.33
FLT3 P36888 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
SCHEMBL6848000 1.00 IDO1 (0.47) IDO1CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL6880877 0.81 IDO1 (0.57) IDO1CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL6880871 0.81 IDO1 (0.57) IDO1CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL6230887 0.80 CYP2D6 (0.45) CYP2D6CYP19A1CYP2C9CYP2C19TSHR
SCHEMBL6230889 0.80 CYP2D6 (0.45) CYP2D6CYP19A1CYP2C9CYP2C19TSHR
SCHEMBL6875995 0.76 CYP2D6 (0.51) IDO1CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL6876123 0.75 IDO1 (0.58) IDO1MAPTRAB9AKMT2AHDAC4
SCHEMBL6876125 0.75 IDO1 (0.58) IDO1MAPTRAB9AKMT2AHDAC4
SCHEMBL6229775 0.74 CYP2D6 (0.45) CYP2D6CYP19A1CYP2C9CYP2C19TSHR
SCHEMBL27612843 0.74 CYP2D6 (0.49) CYP2D6CYP19A1CYP2C9CYP2C19TSHR

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 1322/4885CYP2D6 125/4885CYP19A1 1360/4885

“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.