SCHEMBL5779836

SCHEMBL5779836

C(=NNc1ccc(-c2cn3ccccc3n2)cc1)c1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.50
NPC1 O15118 13/20 0.50
KDM4E B2RXH2 9/20 0.50
POLB P06746 2/20 0.50
MAPT P10636 7/20 0.49
MAPK1 P28482 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GFER P55789 2/20 0.49
SMN1; SMN2 Q16637 6/20 0.47
KMT2A Q03164 6/20 0.47
ALDH1A1 P00352 5/20 0.47
PKM P14618 4/20 0.47
HTT P42858 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
EPHX2 P34913 1/20 0.47
GAA P10253 4/20 0.47
MEN1 O00255 3/20 0.46
HPGD P15428 3/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL5775433 0.85 RAB9A (0.49) RAB9ANPC1KDM4EPOLBMAPT
SCHEMBL5779071 0.83 NPC1 (0.49) RAB9ANPC1POLBMAPTSMN1; SMN2
SCHEMBL5777158 0.83 RAB9A (0.56) RAB9ANPC1KDM4EPOLBMAPT
SCHEMBL5778442 0.83 RAB9A (0.49) RAB9ANPC1KDM4EPOLBMAPT
SCHEMBL5779744 0.83 RAB9A (0.54) RAB9ANPC1KDM4EPOLBMAPT
SCHEMBL5775793 0.78 NPC1 (0.53) RAB9ANPC1KDM4EPOLBMAPT
SCHEMBL6389359 0.78 RAB9A (0.68) RAB9ANPC1KDM4EPOLBMAPT
SCHEMBL30366944 0.75 RAB9A (0.69) RAB9ANPC1KDM4EPOLBMAPT
SCHEMBL5777007 0.75 NPC1 (0.43) RAB9ANPC1KDM4EPOLBMAPT
SCHEMBL13325909 0.75 RAB9A (0.83) RAB9ANPC1KDM4EPOLBMAPT

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 952/4885KDM4E 4325/4885

“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.