SCHEMBL5778442

SCHEMBL5778442

Brc1ccc2nc(-c3ccc(NN=Cc4ccncc4)cc3)cn2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.49
NPC1 O15118 9/20 0.49
GAA P10253 7/20 0.49
APP P05067 5/20 0.48
PAX8 Q06710 1/20 0.46
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
CLK1 P49759 1/20 0.42
DYRK1A Q13627 1/20 0.42
MAPT P10636 5/20 0.41
POLB P06746 3/20 0.41
THRB P10828 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 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
SCHEMBL5779071 0.86 NPC1 (0.49) RAB9ANPC1GAAAPPALDH1A1
SCHEMBL5775433 0.86 RAB9A (0.49) RAB9ANPC1GAAAPPPAX8
SCHEMBL5777158 0.86 RAB9A (0.56) RAB9ANPC1GAAAPPALDH1A1
SCHEMBL5779836 0.83 RAB9A (0.50) RAB9ANPC1GAAALDH1A1KMT2A
SCHEMBL5777007 0.78 NPC1 (0.43) RAB9ANPC1GAAAPPPAX8
SCHEMBL5775793 0.75 NPC1 (0.53) RAB9ANPC1GAAALDH1A1KMT2A
SCHEMBL5779744 0.75 RAB9A (0.54) RAB9ANPC1GAAALDH1A1KMT2A
SCHEMBL7605200 0.74 NPC1 (0.77) RAB9ANPC1GAAAPPPAX8
SCHEMBL14076015 0.73 APP (0.67) RAB9ANPC1GAAAPPPAX8
SCHEMBL5773663 0.73 RAB9A (0.44) RAB9ANPC1GAAALDH1A1KMT2A

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 RAB9A 3127/4885NPC1 952/4885GAA 3175/4885

“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.