SCHEMBL4295218

SCHEMBL4295218

O=C1C(O)=C(c2ccc(O)cc2)C(c2ccco2)N1CCCn1ccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 2/20 0.51
FPR1 P21462 2/20 0.51
GAA P10253 1/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
ANXA2 P07355 1/20 0.46
S100A10 P60903 1/20 0.46
TP53 P04637 2/20 0.42
MDM2 Q00987 2/20 0.42
TSHR P16473 3/20 0.41
PPARG P37231 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
USP2 O75604 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
SCHEMBL4291443 0.93 RXFP1 (0.62) RXFP1SMN1; SMN2ALDH1A1FPR1GAA
SCHEMBL4291248 0.85 KDM4E (0.62) RXFP1SMN1; SMN2ALDH1A1FPR1GAA
SCHEMBL4302148 0.85 KDM4E (0.53) RXFP1SMN1; SMN2ALDH1A1FPR1GAA
SCHEMBL4293455 0.84 RXFP1 (0.60) RXFP1SMN1; SMN2ALDH1A1FPR1GAA
SCHEMBL4303145 0.84 RXFP1 (0.60) RXFP1KMT2AMEN1KDM4ECYP1A2
SCHEMBL4300175 0.83 RXFP1 (0.59) RXFP1SMN1; SMN2ALDH1A1FPR1GAA
SCHEMBL4300458 0.83 KDM4E (0.47) RXFP1SMN1; SMN2ALDH1A1FPR1GAA
SCHEMBL4300822 0.83 KDM4E (0.58) RXFP1SMN1; SMN2ALDH1A1FPR1KMT2A
SCHEMBL4291068 0.82 KDM4E (0.50) RXFP1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL4291470 0.82 KDM4E (0.59) RXFP1KMT2AMEN1KDM4ECYP1A2

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 7 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
US-8278345-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2012-10-02 US disclosed
US-20090269301-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2009-10-29 US disclosed
US-20090269301-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2009-10-29 US disclosed
US-20090269301-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2009-10-29 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-20090269301-A1 Novel Inhibitors of Glutaminyl Cyclase GLS, GLS2, GLUL RXFP1 1183/4885SMN1; SMN2 4283/4885ALDH1A1 896/4885

“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.