SCHEMBL3630281

SCHEMBL3630281

COc1ccc(CNC(=O)Nc2ccc3[nH]cnc3c2)cc1OC

nearest known ligand 0.84

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 10/20 0.84
ROCK2 O75116 2/20 0.60
ALDH1A1 P00352 2/20 0.56
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
NAMPT P43490 1/20 0.51
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
GAA P10253 1/20 0.50
CYP2C9 P11712 1/20 0.50
PKM P14618 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
RXFP1 Q9HBX9 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
SCHEMBL3630981 0.89 QPCT (1.00) QPCTROCK2ALDH1A1LMNASMN1; SMN2
SCHEMBL3634637 0.87 QPCT (0.84) QPCTMEN1KMT2A
SCHEMBL3634005 0.86 QPCT (0.81) QPCTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL3635292 0.79 QPCT (0.85) QPCT
SCHEMBL3633380 0.79 QPCT (0.85) QPCT
SCHEMBL3634710 0.78 QPCT (0.85) QPCTMEN1KMT2A
SCHEMBL3633397 0.77 QPCT (0.81) QPCTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL3628892 0.77 QPCT (0.84) QPCT
SCHEMBL7562992 0.77 QPCT (0.54) QPCTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL27953132 0.75 ALDH1A1 (0.73) QPCTROCK2ALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146968-A1 UREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS Probiodrug AG (DE) 2010-01-27 EP claimed
WO-2008128986-A1 UREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 WO claimed
US-20080262063-A1 Compounds of formula (I), combinations and uses thereof for disease therapy,** Image-1or a pharmaceutically acceptable salt, solvate or polymorph thereof, including all tautomers and stereoisomers thereof wherein: PROBIODRUG AG (DE) 2008-10-23 US claimed
US-9512082-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2016-12-06 US disclosed
US-9512082-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2016-12-06 US disclosed
US-9512082-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2016-12-06 US disclosed
EP-2146968-A1 UREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS Probiodrug AG (DE) 2010-01-27 EP disclosed
WO-2008128986-A1 UREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 WO disclosed
WO-2008128986-A1 UREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 WO disclosed
US-20080262063-A1 Compounds of formula (I), combinations and uses thereof for disease therapy,** Image-1or a pharmaceutically acceptable salt, solvate or polymorph thereof, including all tautomers and stereoisomers thereof wherein: PROBIODRUG AG (DE) 2008-10-23 US disclosed
US-20080262063-A1 Compounds of formula (I), combinations and uses thereof for disease therapy,** Image-1or a pharmaceutically acceptable salt, solvate or polymorph thereof, including all tautomers and stereoisomers thereof wherein: PROBIODRUG AG (DE) 2008-10-23 US disclosed
US-20080262063-A1 Compounds of formula (I), combinations and uses thereof for disease therapy,** Image-1or a pharmaceutically acceptable salt, solvate or polymorph thereof, including all tautomers and stereoisomers thereof wherein: PROBIODRUG AG (DE) 2008-10-23 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-20080262063-A1 Compounds of formula (I), combinations and uses thereof for disease therapy,** Image-1or a pharmaceutically acceptable salt, solvate or polymorph thereof, including all tautomers and stereoisomers thereof wherein: MAPT, SLC10A1, REN QPCT 3498/4885ROCK2 421/4885ALDH1A1 547/4885

“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.