SCHEMBL5775552

SCHEMBL5775552

NNc1ccc(-c2cn3cc(Cl)ccc3n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.73
NPC1 O15118 9/20 0.73
APP P05067 2/20 0.61
ALDH1A1 P00352 11/20 0.56
ALDH1A3 P47895 2/20 0.56
KDM4E B2RXH2 8/20 0.54
SMN1; SMN2 Q16637 7/20 0.54
MAPT P10636 4/20 0.52
HPGD P15428 3/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CLK1 P49759 1/20 0.52
DYRK1A Q13627 1/20 0.52
PKM P14618 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
CASP3 P42574 1/20 0.49

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
SCHEMBL1691409 0.85 RAB9A (1.00) RAB9ANPC1APPALDH1A1ALDH1A3
SCHEMBL5775919 0.83 RAB9A (0.81) RAB9ANPC1APPALDH1A1ALDH1A3
SCHEMBL5776509 0.82 APP (0.61) RAB9ANPC1APPALDH1A1ALDH1A3
SCHEMBL1664803 0.81 RAB9A (0.83) RAB9ANPC1APPALDH1A1ALDH1A3
SCHEMBL13217820 0.80 RAB9A (0.81) RAB9ANPC1APPALDH1A1ALDH1A3
SCHEMBL13325716 0.80 RAB9A (0.81) RAB9ANPC1APPALDH1A1ALDH1A3
SCHEMBL27921746 0.79 NPC1 (0.76) RAB9ANPC1APPALDH1A1ALDH1A3
SCHEMBL2404662 0.79 RAB9A (1.00) RAB9ANPC1APPALDH1A1ALDH1A3
Bromide SCHEMBL1691853 0.78 ALDH1A1 (0.80) RAB9ANPC1APPALDH1A1ALDH1A3
SCHEMBL5776801 0.77 RAB9A (0.65) RAB9ANPC1ALDH1A1KDM4ESMN1; 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-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 952/4885APP 1/4885

“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.