SCHEMBL3974464

SCHEMBL3974464

CCN(CC)CCCNc1nc(-c2ccc(Br)cc2)nc2cc(OC)c(OC)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.57
SLC2A1 P11166 1/20 0.56
KMT5A Q9NQR1 1/20 0.56
KDM4E B2RXH2 3/20 0.55
KMT2A Q03164 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
GAA P10253 1/20 0.55
RECQL P46063 1/20 0.55
FLT3 P36888 5/20 0.52
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
DNMT1 P26358 1/20 0.49
KDM1A O60341 4/20 0.48
EHMT2 Q96KQ7 3/20 0.48
RCOR1 Q9UKL0 3/20 0.48
RAD52 P43351 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
TLR9 Q9NR96 1/20 0.47
PDE4A P27815 1/20 0.45
PDE4B Q07343 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
SCHEMBL3977037 0.94 POLB (0.53) POLBSLC2A1KMT5AKDM4EKMT2A
SCHEMBL3974654 0.88 ACP1 (0.54) POLBSLC2A1KMT5AKDM4EKMT2A
SCHEMBL3973396 0.85 TLR9 (0.56) POLBSLC2A1KMT5AKDM4EALDH1A1
SCHEMBL3973975 0.84 CCR4 (0.60) POLBSLC2A1KDM4EKMT2ASMN1; SMN2
SCHEMBL3972870 0.83 SLC2A1 (0.70) POLBSLC2A1KMT2ASMN1; SMN2FLT3
SCHEMBL6668789 0.83 POLB (0.62) POLBSLC2A1KMT2AFLT3ALDH1A1
SCHEMBL3974901 0.82 SLC2A1 (0.72) POLBSLC2A1KMT2AFLT3
SCHEMBL3972349 0.79 TLR9 (0.66) POLBKMT5AKDM4EALDH1A1MAPT
SCHEMBL7262687 0.78 MEN1 (0.65) POLBSLC2A1KMT5AKDM4EKMT2A
SCHEMBL3974916 0.77 KDM4E (0.77) POLBKMT5AKDM4EKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547702-B2 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-06-16 US disclosed
US-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents ORTHO-MCNEIL PHARMACEUTICALS, INC. 2006-01-26 US 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-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents SERPINA3, APOL1, MGAT3 POLB 4723/4885SLC2A1 1107/4885KMT5A 4858/4885

“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.