SCHEMBL17242559

SCHEMBL17242559

O=c1[nH]c2cc(Cl)ccc2c(=O)n1Cc1ccc(OC(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
PKM P14618 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
KMT2A Q03164 1/20 0.47
CA9 Q16790 2/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 3/20 0.47
CA12 O43570 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ACHE P22303 1/20 0.47
CACNA1G O43497 2/20 0.46
HTR3A P46098 2/20 0.46
GAA P10253 1/20 0.46
TP53 P04637 1/20 0.46
TBXAS1 P24557 2/20 0.45
DDR1 Q08345 1/20 0.45

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 0.85 CA9 (0.59) KDM4EPKMOPRM1OPRD1KMT2A
SCHEMBL17242622 0.85 KDM4E (0.56) KDM4EPKMKMT2AMAPTALDH1A1
SCHEMBL7655012 0.84 KDM4E (0.72) KDM4EPKMKMT2ACA9MAPT
SCHEMBL17242609 0.84 DDR1 (0.56) KDM4EPKMOPRM1OPRD1KMT2A
SCHEMBL17242523 0.82 KDM4E (0.56) KDM4EPKMOPRM1OPRD1KMT2A
SCHEMBL17242600 0.79 PKM (0.49) KDM4EPKMOPRM1OPRD1KMT2A
SCHEMBL17242492 0.78 KDM4E (0.41) KDM4EKMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL31207290 0.78 PKM (0.62) KDM4EPKMOPRM1OPRD1KMT2A
SCHEMBL17242548 0.77 KDM4E (0.53) KDM4EPKMOPRM1OPRD1KMT2A
SCHEMBL17242582 0.76 KDM4E (0.43) KDM4EKMT2AMAPTALDH1A1HPGD

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 1998/4885PKM 3154/4885OPRM1 254/4885

“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.