SCHEMBL17242523

SCHEMBL17242523

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

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
CA9 Q16790 2/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
CA12 O43570 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PKM P14618 2/20 0.55
KMT2A Q03164 2/20 0.55
OPRM1 P35372 1/20 0.55
OPRD1 P41143 1/20 0.55
ACHE P22303 1/20 0.54
HTR3A P46098 4/20 0.52
CACNA1G O43497 3/20 0.52
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
GAA P10253 1/20 0.49
DDR1 Q08345 1/20 0.49

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 0.94 CA9 (0.59) KDM4ECA9ALDH1A1HPGDCA12
SCHEMBL31207290 0.86 PKM (0.62) KDM4ECA9ALDH1A1HPGDCA12
SCHEMBL7655012 0.85 KDM4E (0.72) KDM4ECA9ALDH1A1SMN1; SMN2PKM
SCHEMBL17242548 0.85 KDM4E (0.53) KDM4ECA9ALDH1A1HPGDCA12
SCHEMBL17241606 0.84 KDM4E (0.55) KDM4EALDH1A1HPGDCA12SMN1; SMN2
SCHEMBL17242600 0.84 PKM (0.49) KDM4ECA9ALDH1A1HPGDCA12
SCHEMBL7752011 0.83 AKR1A1 (0.58) CA9ALDH1A1CA12PKMKMT2A
SCHEMBL17242559 0.82 KDM4E (0.52) KDM4ECA9ALDH1A1HPGDCA12
SCHEMBL17242609 0.82 DDR1 (0.56) KDM4ECA9ALDH1A1HPGDCA12
SCHEMBL4220952 0.82 CA12 (0.52) KDM4ECA9ALDH1A1HPGDCA12

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 1998/4885CA9 3799/4885ALDH1A1 819/4885

“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.