SCHEMBL5774975

SCHEMBL5774975

O=[N+]([O-])c1ccc(-c2cn3cc(Br)ccc3n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.68
NPC1 O15118 9/20 0.68
ALDH1A1 P00352 6/20 0.68
SMN1; SMN2 Q16637 5/20 0.68
POLB P06746 4/20 0.68
LMNA P02545 2/20 0.68
GAA P10253 2/20 0.68
CASP3 P42574 2/20 0.68
SENP7 Q9BQF6 2/20 0.68
SENP6 Q9GZR1 2/20 0.68
STAT3 P40763 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
APP P05067 6/20 0.62
KMT2A Q03164 6/20 0.58
MEN1 O00255 5/20 0.58
MAPT P10636 4/20 0.58
PAX8 Q06710 2/20 0.56
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 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
SCHEMBL4147937 0.91 RAB9A (0.77) RAB9ANPC1ALDH1A1SMN1; SMN2POLB
Bromide SCHEMBL1691646 0.90 RAB9A (0.75) RAB9ANPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL10172979 0.88 RAB9A (0.86) RAB9ANPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL1984138 0.84 RAB9A (0.84) RAB9ANPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL7605200 0.83 NPC1 (0.77) RAB9ANPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL5777650 0.83 RAB9A (0.69) RAB9ANPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL1988355 0.83 RAB9A (0.68) RAB9ANPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL1982896 0.83 RAB9A (0.68) RAB9ANPC1ALDH1A1SMN1; SMN2POLB
Bromide SCHEMBL1691457 0.81 NPC1 (0.75) RAB9ANPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL9788664 0.81 RAB9A (1.00) RAB9ANPC1ALDH1A1SMN1; SMN2POLB

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 952/4885ALDH1A1 1541/4885

“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.