SCHEMBL6880871

SCHEMBL6880871

NOC/C=C/c1ccc(-c2ccccn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.57
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
KDM1A O60341 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL6880877 1.00 IDO1 (0.57) IDO1CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL6876123 0.83 IDO1 (0.58) IDO1L3MBTL1MAPTKDM1ANPC1
SCHEMBL6876125 0.83 IDO1 (0.58) IDO1L3MBTL1MAPTKDM1ANPC1
SCHEMBL6852650 0.81 HDAC3 (0.46) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL6852658 0.81 HDAC3 (0.46) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL6879923 0.81 IDO1 (0.51) IDO1
SCHEMBL6879921 0.81 IDO1 (0.51) IDO1
SCHEMBL6847994 0.81 IDO1 (0.47) IDO1CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL6848000 0.81 IDO1 (0.47) IDO1CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL13017261 0.77 KDM4E (0.50) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19

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 IDO1 1322/4885CYP1A2 1942/4885CYP2D6 125/4885

“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.