SCHEMBL24915525

SCHEMBL24915525

CCc1cc(C(=O)NCC2CCCC2)c2nccc(C(C)C)c2c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.46
NPC1 O15118 2/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PDPK1 O15530 1/20 0.39
GSK3B P49841 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39

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
SCHEMBL24916011 0.90 PBK (0.38) CNR2GSK3B
SCHEMBL24916356 0.87 TLR9 (0.44)
SCHEMBL24916002 0.86 SMYD3 (0.43) CNR2NPC1POLBRAB9A
SCHEMBL24916196 0.86 PFKFB3 (0.38) CNR2GSK3BCYP1A2CYP3A4CYP2D6
SCHEMBL24915998 0.84 SMYD3 (0.47) CNR2RAB9AMEN1KMT2A
SCHEMBL24916193 0.83 CSF1R (0.38) CNR2NPC1KMT2AGSK3B
SCHEMBL24915997 0.83 GPR52 (0.39) MEN1KMT2A
SCHEMBL24915849 0.82 PLK1 (0.37) NPC1POLBRAB9ACYP1A2CYP2D6
SCHEMBL24916013 0.82 MAP4K4 (0.40) MEN1KMT2A
SCHEMBL24915532 0.81 LMNA (0.48) NPC1POLBRAB9A

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 CNR2 3646/4885NPC1 1407/4885POLB 3227/4885

“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.