SCHEMBL17242548

SCHEMBL17242548

CN(C)c1ccc(Cn2c(=O)[nH]c3cc(Cl)ccc3c2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
HPGD P15428 2/20 0.53
GAA P10253 1/20 0.53
CA9 Q16790 2/20 0.50
CA12 O43570 1/20 0.50
PKM P14618 1/20 0.50
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
KMT2A Q03164 1/20 0.50
MPO P05164 1/20 0.50
XDH P47989 1/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ACHE P22303 1/20 0.49
CACNA1G O43497 2/20 0.48
HTR3A P46098 2/20 0.48
TBXAS1 P24557 2/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL17241716 0.88 CA9 (0.59) KDM4EHPGDCA9CA12PKM
SCHEMBL17242523 0.85 KDM4E (0.56) KDM4EHPGDGAACA9CA12
SCHEMBL7655012 0.82 KDM4E (0.72) KDM4EGAACA9PKMKMT2A
SCHEMBL31207290 0.81 PKM (0.62) KDM4EHPGDGAACA9CA12
SCHEMBL17242600 0.79 PKM (0.49) KDM4EHPGDCA9CA12PKM
SCHEMBL17242641 0.79 KDM4E (0.60) KDM4EHPGDGAACA9PKM
SCHEMBL31207287 0.78 CYP1A2 (0.62) KDM4EHPGDGAACA9CA12
SCHEMBL17242609 0.77 DDR1 (0.56) KDM4EHPGDGAACA9CA12
SCHEMBL17242559 0.77 KDM4E (0.52) KDM4EHPGDGAACA9CA12
SCHEMBL17242569 0.76 MEN1 (0.58) KDM4EHPGDGAAKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137387-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES ORION CORPORATION (FI) 2017-05-18 US disclosed
EP-3140301-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES Orion Corporation (FI) 2017-03-15 EP disclosed
WO-2015169999-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES ORION CORPORATION (FI) 2015-11-12 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-20170137387-A1 PHARMACOLOGICALLY ACTIVE QUINAZOLINEDIONE DERIVATIVES GABRB1, GABRB3, GABRB2 KDM4E 1998/4885HPGD 2895/4885GAA 1890/4885

“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.