SCHEMBL15437985

SCHEMBL15437985

O=C1C(c2ccccc2)=C(c2ccccc2)C(=O)N1CCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.59
GSK3A P49840 3/20 0.58
GSK3B P49841 3/20 0.58
MGLL Q99685 1/20 0.58
ALDH1A1 P00352 7/20 0.56
MAPT P10636 6/20 0.56
RAB9A P51151 4/20 0.56
GAA P10253 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
KDM4E B2RXH2 2/20 0.56
L3MBTL1 Q9Y468 3/20 0.53
KMT2A Q03164 3/20 0.53
HSD17B10 Q99714 2/20 0.53
MEN1 O00255 2/20 0.53
HTT P42858 2/20 0.53
USP2 O75604 1/20 0.53
ALDH2 P05091 1/20 0.53
ALDH3A1 P30838 1/20 0.53
PARK7 Q99497 1/20 0.53
LCK P06239 1/20 0.50

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
SCHEMBL28080838 0.89 GSK3A (0.61) CASP3GSK3AGSK3BMGLLALDH1A1
SCHEMBL16301946 0.88 CASP3 (0.47) CASP3GSK3AGSK3BMGLLALDH1A1
SCHEMBL15437849 0.88 MAPT (0.53) CASP3GSK3AGSK3BMGLLALDH1A1
SCHEMBL28080827 0.87 TDP1 (0.68) CASP3GSK3AGSK3BMGLLALDH1A1
SCHEMBL6310937 0.86 LCK (0.57) CASP3MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL15437771 0.84 PARK7 (0.50) CASP3GSK3AGSK3BMGLLALDH1A1
SCHEMBL16326970 0.81 CASP3 (0.41) CASP3GSK3AGSK3BMGLLALDH1A1
SCHEMBL15437828 0.80 NR1H2 (0.70) CASP3GSK3AGSK3BMGLLALDH1A1
SCHEMBL29644739 0.80 LCK (0.57) GSK3AGSK3BL3MBTL1KMT2AMEN1
SCHEMBL29724090 0.80 CASP3 (0.86) CASP3GSK3AGSK3BMGLLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296690-B2 Method for inhibiting differentiation of osteoclast and pharmaceutical composition comprising thereof METACINE, INC. (KR) 2016-03-29 US claimed
US-20140275203-A1 Method for Inhibiting Differentiation of Osteoclast and Pharmaceutical Composition Comprising Thereof METACINE, INC. (KR) 2014-09-18 US claimed
US-20140031563-A1 New compounds for inhibiting differentiation of osteoclast and pharmaceutical composition comprising thereof METACINE, INC. (KR) 2014-01-30 US claimed
CN-114456100-A Method for preparing maleimide through cyclization of aryl acetaldehyde and primary amine 长沙资材科技有限公司 2022-05-10 CN disclosed
CN-103804108-B A kind of method preparing primary amine 沈阳药科大学 2016-08-03 CN disclosed
US-9296690-B2 Method for inhibiting differentiation of osteoclast and pharmaceutical composition comprising thereof METACINE, INC. (KR) 2016-03-29 US disclosed
US-9296690-B2 Method for inhibiting differentiation of osteoclast and pharmaceutical composition comprising thereof METACINE, INC. (KR) 2016-03-29 US disclosed
US-9296690-B2 Method for inhibiting differentiation of osteoclast and pharmaceutical composition comprising thereof METACINE, INC. (KR) 2016-03-29 US disclosed
US-20140275203-A1 Method for Inhibiting Differentiation of Osteoclast and Pharmaceutical Composition Comprising Thereof METACINE, INC. (KR) 2014-09-18 US disclosed
US-20140275203-A1 Method for Inhibiting Differentiation of Osteoclast and Pharmaceutical Composition Comprising Thereof METACINE, INC. (KR) 2014-09-18 US disclosed
US-20140275203-A1 Method for Inhibiting Differentiation of Osteoclast and Pharmaceutical Composition Comprising Thereof METACINE, INC. (KR) 2014-09-18 US disclosed
US-20140031563-A1 New compounds for inhibiting differentiation of osteoclast and pharmaceutical composition comprising thereof METACINE, INC. (KR) 2014-01-30 US disclosed
US-20140031563-A1 New compounds for inhibiting differentiation of osteoclast and pharmaceutical composition comprising thereof METACINE, INC. (KR) 2014-01-30 US disclosed
US-20140031563-A1 New compounds for inhibiting differentiation of osteoclast and pharmaceutical composition comprising thereof METACINE, INC. (KR) 2014-01-30 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 (2 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-20140031563-A1 New compounds for inhibiting differentiation of osteoclast and pharmaceutical composition comprising thereof SOST, MYD88, MSR1 CASP3 1264/4885GSK3A 1156/4885GSK3B 701/4885
US-20140275203-A1 Method for Inhibiting Differentiation of Osteoclast and Pharmaceutical Composition Comprising Thereof SOST, MYD88, MSR1 CASP3 1743/4885GSK3A 1027/4885GSK3B 634/4885

“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.