SCHEMBL24916360

SCHEMBL24916360

CCC(C)c1ccnc2c(CN3CCCC3)cc(OC)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
L3MBTL1 Q9Y468 5/20 0.43
TP53 P04637 4/20 0.43
ALOX12 P18054 3/20 0.43
ALOX15 P16050 3/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
USP2 O75604 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 2/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
MPI P34949 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL24915841 0.89 KDM4E (0.44) KDM4EL3MBTL1TP53ALOX12ALOX15
SCHEMBL24916357 0.81 MAPT (0.47) KDM4EL3MBTL1TP53ALOX12ALOX15
SCHEMBL29923592 0.80 KDM4E (0.49) KDM4EL3MBTL1TP53ALOX12ALOX15
SCHEMBL24916498 0.80 KDM4E (0.49) KDM4EL3MBTL1TP53ALOX12ALOX15
SCHEMBL24916359 0.80 HTT (0.46) KDM4EL3MBTL1TP53ALOX15HTT
SCHEMBL29923190 0.79 KDM4E (0.51) KDM4EL3MBTL1TP53ALOX12ALOX15
SCHEMBL24916335 0.79 KDM4E (0.51) KDM4EL3MBTL1TP53ALOX12ALOX15
SCHEMBL24915840 0.79 MTNR1B (0.46) KDM4EL3MBTL1TP53ALOX15HTT
SCHEMBL24916363 0.78 ALDH1A1 (0.39) KDM4EL3MBTL1TP53ALOX12ALOX15
SCHEMBL24915979 0.78 MAPT (0.40) KDM4EL3MBTL1TP53ALOX12ALOX15

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 KDM4E 105/4885L3MBTL1 1214/4885TP53 1046/4885

“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.