SCHEMBL30079880

SCHEMBL30079880

c1ccc2c3c(cnc2c1)COCCN3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
GPR3 P46089 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NCF1 P14598 2/20 0.34
ADRB2 P07550 1/20 0.34
PTK2 Q05397 1/20 0.34
TGFBR1 P36897 3/20 0.32
MAPK14 Q16539 3/20 0.32
STK26 Q9P289 1/20 0.32
STK24 Q9Y6E0 1/20 0.32
CYP1A2 P05177 1/20 0.31
TGFBR2 P37173 1/20 0.31
ABL2 P42684 1/20 0.31
CSNK1A1 P48729 1/20 0.31
CSNK1D P48730 1/20 0.31
MAP3K20 Q9NYL2 1/20 0.31

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
SCHEMBL25666758 1.00 KDM4E (0.36) KDM4EGPR3ALDH1A1GLAGAA
SCHEMBL25666747 0.84 KDM4E (0.38) KDM4EGPR3ALDH1A1GLAGAA
SCHEMBL25666757 0.81 LMNA (0.36)
SCHEMBL25666733 0.80 KDM4E (0.39) KDM4EGPR3ALDH1A1HPGDHSD17B10
SCHEMBL1770055 0.79 KDM4E (0.41) KDM4EGPR3NCF1ADRB2CYP1A2
SCHEMBL12406712 0.75 KDM4E (0.44) KDM4EGPR3NCF1ADRB2TGFBR1
SCHEMBL9588205 0.75 GRM5 (0.40) KDM4EGPR3ALDH1A1GLAGAA
SCHEMBL25666734 0.70 KDM4E (0.42) KDM4EGPR3ALDH1A1HPGDHSD17B10
SCHEMBL25666751 0.70 KDM4E (0.39) KDM4EGPR3NCF1ADRB2TGFBR1
SCHEMBL23405733 0.70 KDM4E (0.36) KDM4EGPR3ALDH1A1GLAGAA

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-11512095-B2 BCL6 inhibitors THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2022-11-29 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-11512095-B2 BCL6 inhibitors BCL6, BCL6B, BCL3 KDM4E 481/4885GPR3 3754/4885ALDH1A1 2602/4885

“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.