SCHEMBL13302425

SCHEMBL13302425

O=C(O)c1cccc2c(-c3c[nH]c4ccc(Br)cc34)c[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
CDK2 P24941 2/20 0.44
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRB2 P47870 1/20 0.41
CAMK2D Q13557 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
PDPK1 O15530 1/20 0.40
CCNB2 O95067 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CDK1 P06493 1/20 0.40

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
SCHEMBL5429949 0.83 PBRM1 (0.51) NR4A2MEN1KMT2ACDK2HTT
SCHEMBL13302333 0.80 GABRP (0.50) MEN1KMT2ACDK2GABRA1GABRB1
SCHEMBL2085712 0.78 NR4A2 (0.69) NR4A2SMN1; SMN2F7F3GABRA1
SCHEMBL5435938 0.77 PTPN1 (0.53) NR4A2MEN1KMT2AGABRA1GABRB1
SCHEMBL5429556 0.76 GPR84 (0.62) NR4A2GPR84PDPK1CCNB2CYP1A1
SCHEMBL3662574 0.75 S100A4 (0.55) NR4A2MEN1KMT2ACDK2SMN1; SMN2
SCHEMBL10086124 0.74 HTT (0.54) NR4A2KMT2AHTTSMN1; SMN2PIM1
SCHEMBL14215759 0.73 HTR1A (0.55) NR4A2CAMK2DGPR84PDPK1CCNB2
SCHEMBL7564762 0.73 PBRM1 (0.69) MEN1KMT2ARXFP1CDK2CCNB2
SCHEMBL2811213 0.73 HTT (0.59) NR4A2KMT2AHTTSMN1; SMN2PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362066-B2 Compounds and methods for treating protein folding disorders TREVENTIS CORPORATION (US) 2013-01-29 US disclosed
US-8362066-B2 Compounds and methods for treating protein folding disorders TREVENTIS CORPORATION (US) 2013-01-29 US disclosed
US-20100144821-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2010-06-10 US disclosed
US-20100144821-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2010-06-10 US disclosed
WO-2008058402-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2008-05-22 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-20100144821-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS SNCA, MAPT, APP NR4A2 3227/4885MEN1 3370/4885KMT2A 3262/4885

“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.