SCHEMBL21166873

SCHEMBL21166873

O=C1/C(=C/c2ccc(Br)cc2)CNC/C1=C\c1ccc(Br)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.67
KMT2A Q03164 3/20 0.67
MEN1 O00255 2/20 0.67
ACHE P22303 2/20 0.57
BCHE P06276 1/20 0.55
PTGS2 P35354 1/20 0.55
DYRK2 Q92630 1/20 0.53
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
DRD3 P35462 1/20 0.50
FGFR1 P11362 1/20 0.50
PIM1 P11309 1/20 0.50
PIM2 Q9P1W9 1/20 0.50
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
EGFR P00533 1/20 0.49
XDH P47989 1/20 0.49
APP P05067 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL21166874 1.00 IKBKB (0.67) IKBKBKMT2AMEN1ACHEBCHE
SCHEMBL4463210 0.80 KMT2A (1.00) IKBKBKMT2AMEN1ACHEBCHE
SCHEMBL933876 0.80 IKBKB (1.00) IKBKBKMT2AMEN1ACHEBCHE
SCHEMBL29929022 0.80 IKBKB (0.52) IKBKBKMT2AMEN1ACHEBCHE
SCHEMBL13719949 0.80 IKBKB (0.67) IKBKBKMT2AMEN1ACHEBCHE
SCHEMBL13720053 0.80 IKBKB (1.00) IKBKBKMT2AMEN1ACHEBCHE
SCHEMBL13719950 0.80 IKBKB (0.67) IKBKBKMT2AMEN1ACHEBCHE
SCHEMBL932826 0.80 IKBKB (1.00) IKBKBKMT2AMEN1ACHEBCHE
SCHEMBL30969583 0.80 EGFR (0.69) ACHEBCHEPTGS2MAPTRAB9A
SCHEMBL14820391 0.80 KMT2A (1.00) IKBKBKMT2AMEN1ACHEBCHE

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-10357485-B1 Anti-cancer compound KING SAUD UNIVERSITY (SA) 2019-07-23 US claimed
US-10357485-B1 Anti-cancer compound KING SAUD UNIVERSITY (SA) 2019-07-23 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-10357485-B1 Anti-cancer compound TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HDAC9 IKBKB 169/4885KMT2A 1161/4885MEN1 1948/4885

“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.