SCHEMBL3666752

SCHEMBL3666752

c1ccc(COc2ccc(-c3nc4c[n+](Cc5ccccc5)ccc4o3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.49
PRSS1 P07477 1/20 0.49
HSD17B10 Q99714 3/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
GPR119 Q8TDV5 4/20 0.45
CETP P11597 1/20 0.42
ACHE P22303 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42

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
SCHEMBL3577679 0.85 MAPT (0.48) HSD17B10MAPTKDM4EALDH1A1HPGD
SCHEMBL20250842 0.78 HDAC6 (0.43) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
Bromide SCHEMBL19664892 0.77 HDAC6 (0.42) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL321374 0.76 HSD17B10 (0.52) HSD17B10MAPTKDM4EALDH1A1HPGD
SCHEMBL10061921 0.75 SMN1; SMN2 (0.67) HSD17B10MAPTKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL11545204 0.74 ALDH1A1 (0.55) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL12396814 0.74 ESR1 (0.63) HSD17B10MAPTKDM4EALDH1A1HPGD
SCHEMBL2588586 0.73 GPR119 (0.59) HSD17B10MAPTKDM4EALDH1A1HPGD
SCHEMBL29819579 0.73 TLR9 (0.60) MEN1RAB9AKMT2AGPR119TLR9
SCHEMBL28831170 0.73 TLR9 (0.60) MEN1RAB9AKMT2AGPR119TLR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292188-A1 Compounds Comprising A Cyclobutoxy Group UCB PHARMA S.A. (BE) 2010-11-18 US disclosed
US-20100292188-A1 Compounds Comprising A Cyclobutoxy Group UCB PHARMA S.A. (BE) 2010-11-18 US disclosed
EP-2238144-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB Pharma, S.A. (BE) 2010-10-13 EP disclosed
WO-2009092764-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB PHARMA, S.A. (BE) 2009-07-30 WO disclosed
WO-2009092764-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB PHARMA, S.A. (BE) 2009-07-30 WO 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-20100292188-A1 Compounds Comprising A Cyclobutoxy Group CYP11B2, CYP11B1, CYP4B1 F2 266/4885PRSS1 3144/4885HSD17B10 146/4885

“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.