SCHEMBL24915732

SCHEMBL24915732

CCOC(=O)c1cc(OC)cc2c(Br)ccnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.46
ALDH1A1 P00352 6/20 0.44
MAPT P10636 5/20 0.44
HPGD P15428 4/20 0.44
KDM4E B2RXH2 4/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NUDT1 P36639 1/20 0.43
TP53 P04637 3/20 0.43
CDC25B P30305 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
NMT1 P30419 1/20 0.41

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
SCHEMBL29923458 1.00 DPP4 (0.46) DPP4ALDH1A1MAPTHPGDKDM4E
SCHEMBL29923420 0.84 GABRA1 (0.45) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL22750311 0.84 GABRA1 (0.45) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL24916220 0.82 DPP4 (0.45) DPP4ALDH1A1MAPTHPGDKDM4E
SCHEMBL29923655 0.82 ALDH1A1 (0.44) DPP4ALDH1A1MAPTHPGDKDM4E
SCHEMBL24916324 0.82 ALDH1A1 (0.44) DPP4ALDH1A1MAPTHPGDKDM4E
SCHEMBL27167364 0.80 TSHR (0.50) ALDH1A1KDM4ENPC1RAB9ANUDT1
SCHEMBL17502532 0.76 NSD2 (0.40) LMNACYP3A4
SCHEMBL4882699 0.75 HPGD (0.56) ALDH1A1MAPTHPGDKDM4ENPC1
SCHEMBL31467097 0.75 ELANE (0.49) ALDH1A1MAPTKDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4055013-B1 WDR5 INHIBITORS AND MODULATORS UNIV VANDERBILT (US) 2024-03-20 EP disclosed
US-20230026466-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-26 US disclosed
US-20230026466-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-26 US disclosed
EP-4055013-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2022-09-14 EP 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 DPP4 3355/4885ALDH1A1 3815/4885MAPT 1413/4885

“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.