SCHEMBL4290724

SCHEMBL4290724

CCCC=CC1C(c2ccccc2)=C(O)C(=O)N1CCCn1ccnc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
ANXA2 P07355 1/20 0.45
S100A10 P60903 1/20 0.45
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 9/20 0.42
MDM2 Q00987 9/20 0.42
MDM4 O15151 2/20 0.42
GAA P10253 1/20 0.41
FPR1 P21462 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL4290719 1.00 KDM4E (0.46) KDM4ERXFP1ANXA2S100A10MEN1
SCHEMBL4303021 0.93 KDM4E (0.46) KDM4ERXFP1ANXA2S100A10MEN1
SCHEMBL4303017 0.93 KDM4E (0.46) KDM4ERXFP1ANXA2S100A10MEN1
SCHEMBL4300191 0.91 KDM4E (0.43) KDM4ERXFP1ANXA2S100A10MEN1
SCHEMBL4300196 0.91 KDM4E (0.43) KDM4ERXFP1ANXA2S100A10MEN1
SCHEMBL4300189 0.91 KDM4E (0.43) KDM4ERXFP1ANXA2S100A10MEN1
SCHEMBL4293563 0.86 CYP1A2 (0.46) KDM4ERXFP1ANXA2S100A10MEN1
SCHEMBL4293567 0.86 CYP1A2 (0.46) KDM4ERXFP1ANXA2S100A10MEN1
SCHEMBL4300011 0.83 KDM4E (0.47) KDM4ERXFP1ANXA2S100A10MEN1
SCHEMBL4300014 0.83 KDM4E (0.47) KDM4ERXFP1ANXA2S100A10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278345-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2012-10-02 US claimed
US-20090269301-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2009-10-29 US claimed
US-8278345-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2012-10-02 US disclosed
CN-1639113-B Method for producing 2-chloromethylphenyl acetic acid derivatives BASF AG 2011-06-01 CN disclosed
US-20090269301-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2009-10-29 US disclosed
US-20090177005-A1 Method For Producing 2-(chloromethyl)penylacetic acid derivatives BASF AKTIENGESELLSCHAFT (DE) 2009-07-09 US disclosed
US-7488840-B2 Method for producing 2-chloromethylphenyl acetic acid derivatives BASF AKTIENGESELLSCHAFT (DE) 2009-02-10 US disclosed
CN-1639113-A Method for producing 2-chloromethylphenyl acetic acid derivatives BASF AG (DE) 2005-07-13 CN disclosed
US-20050113597-A1 Method for producing 2-chloromethylphenyl acetic acid derivatives BASF AKTIENGESELLSCHAFT (DE) 2005-05-26 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 (3 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-20090269301-A1 Novel Inhibitors of Glutaminyl Cyclase GLS, GLS2, GLUL KDM4E 2532/4885RXFP1 1183/4885ANXA2 4727/4885
US-20050113597-A1 Method for producing 2-chloromethylphenyl acetic acid derivatives CA6, CA4, C5 KDM4E 1789/4885RXFP1 3972/4885ANXA2 751/4885
US-20090177005-A1 Method For Producing 2-(chloromethyl)penylacetic acid derivatives C5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PCCA KDM4E 1459/4885RXFP1 4471/4885ANXA2 797/4885

“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.