SCHEMBL17242550

SCHEMBL17242550

O=c1[nH]c2cc(F)c(F)cc2c(=O)n1Cc1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
MAPK1 P28482 1/20 0.45
HTR3A P46098 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CACNA1G O43497 1/20 0.44
HDAC1 Q13547 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 5/20 0.43
NPC1 O15118 1/20 0.43
DDR1 Q08345 1/20 0.43

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
SCHEMBL17242579 0.91 ALDH1A1 (0.51) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL17242675 0.86 KDM4E (0.67) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL17241606 0.86 KDM4E (0.55) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL17242517 0.84 KDM4E (0.76) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL17242631 0.83 KDM4E (0.45) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL17242622 0.82 KDM4E (0.56) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL17242523 0.82 KDM4E (0.56) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL17242632 0.81 DDR1 (0.64) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL19118390 0.80 KDM4E (0.69) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL17241565 0.80 KDM4E (0.81) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A

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 1998/4885ALDH1A1 819/4885HPGD 2895/4885

“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.