SCHEMBL24916335

SCHEMBL24916335

COc1cc(CN2CCCCC2)c2nccc(Br)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.51
TP53 P04637 5/20 0.51
HTT P42858 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
ALOX12 P18054 4/20 0.51
L3MBTL1 Q9Y468 4/20 0.51
ALOX15 P16050 4/20 0.51
LMNA P02545 4/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
CYP1A2 P05177 1/20 0.51
HSP90AA1 P07900 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
MPI P34949 1/20 0.51
ATM Q13315 1/20 0.51
TDP1 Q9NUW8 3/20 0.46
MAPT P10636 3/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL29923190 1.00 KDM4E (0.51) KDM4ETP53HTTSMN1; SMN2ALOX12
SCHEMBL24916498 0.99 KDM4E (0.49) KDM4ETP53HTTSMN1; SMN2ALOX12
SCHEMBL29923592 0.99 KDM4E (0.49) KDM4ETP53HTTSMN1; SMN2ALOX12
SCHEMBL29923662 0.89 SMN1; SMN2 (0.48) KDM4ETP53HTTSMN1; SMN2ALOX12
SCHEMBL24915662 0.89 SMN1; SMN2 (0.48) KDM4ETP53HTTSMN1; SMN2ALOX12
SCHEMBL24915852 0.88 HTT (0.48) KDM4ETP53HTTSMN1; SMN2L3MBTL1
SCHEMBL29923685 0.88 HTT (0.48) KDM4ETP53HTTSMN1; SMN2L3MBTL1
SCHEMBL24916132 0.86 KDM4E (0.42) KDM4ETP53HTTSMN1; SMN2ALOX12
SCHEMBL24916141 0.86 ALDH1A1 (0.40) KDM4ETP53HTTSMN1; SMN2ALOX12
SCHEMBL29923354 0.86 ALDH1A1 (0.40) KDM4ETP53HTTSMN1; SMN2ALOX12

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 105/4885TP53 1046/4885HTT 2313/4885

“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.