Sugi Predict

Sugi Predict / Compounds / SCHEMBL4291673

SCHEMBL4291673

SCHEMBL4291673

COc1ccc(C2C(c3ccccc3)=C(O)C(=O)N2CCCn2ccnc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.73
▸ CYP3A4 P08684 2/20 0.73
▸ CYP2C9 P11712 2/20 0.73
▸ CYP2C19 P33261 2/20 0.73
▸ MEN1 O00255 2/20 0.73
▸ KMT2A Q03164 2/20 0.73
▸ KDM4E B2RXH2 1/20 0.57
▸ FPR1 P21462 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ RXFP1 Q9HBX9 2/20 0.54
▸ ANXA2 P07355 1/20 0.54
▸ S100A10 P60903 1/20 0.54
▸ TP53 P04637 9/20 0.53
▸ MDM2 Q00987 9/20 0.53
▸ GAA P10253 1/20 0.53
▸ ALOX15 P16050 2/20 0.52
▸ MAPK10 P53779 2/20 0.52
▸ USP2 O75604 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52

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
SCHEMBL3817431 0.93 MEN1 (0.73) CYP1A2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL4294919 0.91 KMT2A (0.68) CYP1A2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL4303721 0.90 ANXA2 (0.61) CYP1A2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL4298543 0.90 RXFP1 (0.63) CYP1A2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL3813910 0.89 KDM4E (0.71) CYP1A2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL4291470 0.89 KDM4E (0.59) CYP1A2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL4303145 0.85 RXFP1 (0.60) CYP1A2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL4300414 0.85 MEN1 (0.80) CYP1A2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL4299500 0.85 KDM4E (0.57) CYP1A2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL4306448 0.84 MEN1 (0.64) CYP1A2CYP3A4CYP2C9CYP2C19MEN1

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 CYP1A2 1452/4885CYP3A4 1738/4885CYP2C9 1009/4885

“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.