SCHEMBL24916039

SCHEMBL24916039

CCc1cc(CN)c2nccc(C(C)C)c2c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
LOXL2 Q9Y4K0 2/20 0.32
LOX P28300 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
SCHEMBL24916036 0.83 KDM4E (0.36) NOS3NOS1NOS2
SCHEMBL24916205 0.83 SLC6A2 (0.36) NOS3NOS1NOS2
SCHEMBL24915675 0.82 LOXL2 (0.33) NOS3NOS1NOS2LOXL2LOX
SCHEMBL22253420 0.79 NPC1 (0.36) NOS3NOS1NOS2HTR1A
SCHEMBL24916037 0.79 KMT2A (0.32)
SCHEMBL24916206 0.78 L3MBTL1 (0.45)
SCHEMBL24916204 0.77 MEN1 (0.32)
SCHEMBL24915647 0.77 NOS3 (0.33) NOS3NOS1NOS2
SCHEMBL24916426 0.76 HPGD (0.35) NOS3NOS1NOS2
SCHEMBL24916411 0.75 ACE2 (0.40)

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 NOS3 4274/4885NOS1 4026/4885NOS2 4252/4885

“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.