SCHEMBL17242581

SCHEMBL17242581

O=c1[nH]c2c(F)cc(Cl)cc2c(=O)n1Cc1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 3/20 0.46
HSP90AA1 P07900 2/20 0.44
HSP90B1 P14625 2/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DDR1 Q08345 8/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TLR7 Q9NYK1 1/20 0.39
CACNA1G O43497 1/20 0.39
HTR3A P46098 1/20 0.39

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
SCHEMBL17242573 0.91 TRAP1 (0.48) TRAP1HSP90AA1HSP90B1KDM4EALDH1A1
SCHEMBL17242692 0.89 KDM4E (0.45) TRAP1HSP90AA1HSP90B1KDM4EALDH1A1
SCHEMBL17242493 0.84 KDM4E (0.58) TRAP1KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL17242631 0.84 KDM4E (0.45) TRAP1HSP90AA1HSP90B1KDM4EALDH1A1
SCHEMBL17242702 0.82 KDM4E (0.46) TRAP1HSP90AA1HSP90B1KDM4EALDH1A1
SCHEMBL17242550 0.79 KDM4E (0.55) KDM4EALDH1A1HPGDSMN1; SMN2DDR1
SCHEMBL17242579 0.79 ALDH1A1 (0.51) TRAP1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL17242500 0.79 KDM4E (0.45) TRAP1HSP90AA1HSP90B1KDM4EALDH1A1
SCHEMBL17242523 0.78 KDM4E (0.56) KDM4EALDH1A1HPGDSMN1; SMN2DDR1
SCHEMBL17241606 0.76 KDM4E (0.55) 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 TRAP1 2858/4885HSP90AA1 3068/4885HSP90B1 2620/4885

“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.