SCHEMBL24915997

SCHEMBL24915997

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 10/20 0.39
EGLN1 Q9GZT9 1/20 0.39
BRD4 O60885 1/20 0.38
MEN1 O00255 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR2B P41595 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
S1PR1 P21453 1/20 0.34

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
SCHEMBL24916013 0.90 MAP4K4 (0.40) GPR52EGLN1MEN1KMT2A
SCHEMBL24916028 0.87 NAAA (0.42) EGLN1MEN1KMT2AMAPT
SCHEMBL24916021 0.87 KMT2A (0.45) MEN1KMT2AKDM4E
SCHEMBL24915849 0.86 PLK1 (0.37) BRD4ALDH1A1
SCHEMBL24916012 0.86 EGLN1 (0.34) EGLN1MEN1KMT2A
SCHEMBL24915532 0.84 LMNA (0.48) KDM4EALDH1A1MAPT
SCHEMBL24915998 0.83 SMYD3 (0.47) BRD4MEN1KMT2AKDM4EALDH1A1
SCHEMBL24916011 0.83 PBK (0.38)
SCHEMBL24915525 0.83 CNR2 (0.46) MEN1KMT2A
SCHEMBL24916411 0.82 ACE2 (0.40) EGLN1KDM4EALDH1A1

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 GPR52 2060/4885EGLN1 1068/4885BRD4 33/4885

“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.