SCHEMBL13601887

SCHEMBL13601887

Cc1ccc(-n2cc(I)cn2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
EGLN1 Q9GZT9 10/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
STAT3 P40763 1/20 0.33
STAT1 P42224 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
SCHEMBL16547509 0.83 ALDH1A1 (0.44) CCR1CCR5CCR8HDAC6GRIN2D
SCHEMBL16566298 0.79 NOS3 (0.44) CCR1CCR5CCR8HDAC6GRIN2D
SCHEMBL14318598 0.76 CCR1 (0.35) CCR1CCR5CCR8HDAC6GRIN2D
SCHEMBL16566308 0.75 EGLN1 (0.42) EGLN1
SCHEMBL10130920 0.74 EGLN1 (0.41) EGLN1IDH1IDH2
SCHEMBL15178400 0.73 GCG (0.40) CCR1CCR5CCR8HDAC6GRIN2D
SCHEMBL17225871 0.73 CYP2A6 (0.53) EGLN1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL5668701 0.73 ALKBH2 (0.57) EGLN1RAB9ASMN1; SMN2
SCHEMBL13514024 0.72 EGLN1 (0.38) EGLN1
SCHEMBL29663317 0.72 FFAR1 (0.44) CCR1CCR5CCR8HDAC6GRIN2D

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-20090324577-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2009-12-31 US disclosed
US-7312201-B2 Tetracyclic bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-12-25 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-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 CCR1 389/4885CCR5 266/4885CCR8 631/4885

“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.