SCHEMBL5779365

SCHEMBL5779365

O=C(c1ccc(NN=Cc2ccncc2)cc1)N1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.64
RAB9A P51151 4/20 0.64
GAA P10253 3/20 0.64
NAMPT P43490 4/20 0.53
HPGD P15428 4/20 0.50
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 3/20 0.49
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
MAPT P10636 4/20 0.47
POLB P06746 3/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GFER P55789 1/20 0.47
THRB P10828 1/20 0.45
MEN1 O00255 2/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL5775293 0.99 NPC1 (0.65) NPC1RAB9AGAANAMPTHPGD
SCHEMBL5778074 0.88 NPC1 (0.61) NPC1RAB9AGAANAMPTHPGD
SCHEMBL10838586 0.78 HPGD (0.62) NAMPTHPGDALDH1A1KMT2AMEN1
SCHEMBL5777496 0.78 RAB9A (1.00) NPC1RAB9AGAAHPGDALDH1A1
SCHEMBL881829 0.78 RAB9A (1.00) NPC1RAB9AGAAHPGDALDH1A1
SCHEMBL6045903 0.78 HPGD (0.76) NAMPTHPGDALDH1A1KMT2ACA2
SCHEMBL24092731 0.77 HPGD (0.59) GAANAMPTHPGDALDH1A1KMT2A
SCHEMBL12490113 0.76 HPGD (0.72) NAMPTHPGDALDH1A1KMT2ASMN1; SMN2
SCHEMBL21987038 0.75 HPGD (0.71) NAMPTHPGDALDH1A1KMT2ACA2
SCHEMBL738284 0.72 HPGD (0.67) HPGDALDH1A1KMT2ACA2CA7

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 NPC1 952/4885RAB9A 3127/4885GAA 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.