SCHEMBL5776511

SCHEMBL5776511

Nc1ccc(-c2cn3cc(Br)ccc3n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.67
NPC1 O15118 7/20 0.64
RAB9A P51151 7/20 0.64
PAX8 Q06710 2/20 0.64
ALDH1A1 P00352 5/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
LMNA P02545 1/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
PIK3CG P48736 1/20 0.59
CLK1 P49759 1/20 0.56
DYRK1A Q13627 1/20 0.56
KDM4E B2RXH2 4/20 0.55
POLB P06746 2/20 0.55
GAA P10253 1/20 0.55
MITF O75030 1/20 0.53
KDM5A P29375 1/20 0.53

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
SCHEMBL4157927 0.90 NPC1 (0.69) APPNPC1RAB9APAX8ALDH1A1
SCHEMBL7605200 0.90 NPC1 (0.77) APPNPC1RAB9APAX8ALDH1A1
Bromide SCHEMBL1691457 0.88 NPC1 (0.75) APPNPC1RAB9APAX8ALDH1A1
SCHEMBL2127350 0.86 APP (0.69) APPNPC1RAB9APAX8ALDH1A1
SCHEMBL1473062 0.85 NPC1 (0.81) APPNPC1RAB9APAX8ALDH1A1
SCHEMBL1727295 0.83 APP (0.66) APPNPC1RAB9APAX8ALDH1A1
SCHEMBL1691526 0.83 APP (0.66) APPNPC1RAB9APAX8ALDH1A1
SCHEMBL1472541 0.83 ALDH1A1 (0.82) APPNPC1RAB9APAX8ALDH1A1
SCHEMBL14076016 0.83 APP (0.66) APPNPC1RAB9APAX8ALDH1A1
SCHEMBL5302309 0.83 ALDH1A3 (0.75) APPNPC1RAB9APAX8ALDH1A1

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-20060276433-A1 Hydrazone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
EP-1612204-A1 HYDRAZONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 EP 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-20060276433-A1 Hydrazone derivative APP, PRNP, HTT APP 1/4885NPC1 952/4885RAB9A 3127/4885

“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.