SCHEMBL4296601

SCHEMBL4296601

CCCCCC1=C(O)C(=O)N(CCCn2ccnc2)C1c1cc[nH]n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
FPR1 P21462 3/20 0.45
ALOX15 P16050 2/20 0.45
MAPK10 P53779 2/20 0.45
TP53 P04637 4/20 0.45
MDM2 Q00987 4/20 0.45
GAA P10253 1/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RXFP1 Q9HBX9 4/20 0.43
ANXA2 P07355 1/20 0.43
S100A10 P60903 1/20 0.43
PPARG P37231 1/20 0.42
NCOR2 Q9Y618 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
SCHEMBL4293494 0.91 KDM4E (0.55) KMT2ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4295723 0.84 KDM4E (0.59) KMT2ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4291484 0.84 KDM4E (0.50) KMT2ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4295941 0.84 KDM4E (0.58) KMT2ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4290787 0.83 RXFP1 (0.58) KMT2ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3817058 0.83 KDM4E (0.60) KMT2ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4296981 0.82 KDM4E (0.48) KMT2ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4299497 0.82 KDM4E (0.54) KMT2ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4293479 0.82 KDM4E (0.70) KMT2ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3810750 0.81 CYP1A2 (0.72) KMT2ACYP1A2CYP3A4CYP2C9CYP2C19

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 8 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
WO-2008055945-A1 3-HYDR0XY-1,5-DIHYDR0-PYRR0L-2-ONE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE FOR THE TREATMENT OF ULCER, CANCER AND OTHER DISEASES PROBIODRUG AG (DE) 2008-05-15 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-20090269301-A1 Novel Inhibitors of Glutaminyl Cyclase GLS, GLS2, GLUL KMT2A 2205/4885CYP1A2 1452/4885CYP3A4 1738/4885

“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.