SCHEMBL24915675

SCHEMBL24915675

Cc1cc(CN)c2nccc(C(C)C)c2c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.33
LOX P28300 1/20 0.32
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL24916039 0.82 NOS3 (0.36) LOXL2LOXNOS3NOS1NOS2
SCHEMBL24915961 0.82 SLC6A4 (0.40)
SCHEMBL24915646 0.74 P2RX3 (0.37) KDM4EMEN1KMT2A
SCHEMBL24915937 0.73 PTGDR2 (0.34) CCR1CCR5CCR8
SCHEMBL24916221 0.72 ACE2 (0.42) KDM4EMEN1KMT2A
SCHEMBL28221332 0.68 PSMD14 (0.57) CCR1CCR5CCR8KDM4EMEN1
SCHEMBL24482795 0.68 PDE2A (0.35) LOXL2CCR1CCR5CCR8KDM4E
SCHEMBL24916430 0.68 NSD2 (0.39) CCR1CCR5CCR8KDM4E
SCHEMBL3849204 0.68 SLC6A2 (0.50) LOXL2KDM4E
SCHEMBL19447850 0.67 ADRA1A (0.51) CCR1CCR5CCR8KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230026466-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-26 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-20230026466-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 LOXL2 2808/4885LOX 3381/4885CCR1 3508/4885

“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.