SCHEMBL5775293

SCHEMBL5775293

O=C(c1ccc(NN=Cc2ccncc2)cc1)N1CCCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.65
RAB9A P51151 4/20 0.65
GAA P10253 3/20 0.65
NAMPT P43490 3/20 0.52
KMT2A Q03164 3/20 0.50
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
MAPT P10636 4/20 0.48
POLB P06746 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.48
GFER P55789 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
THRB P10828 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL5779365 0.99 NPC1 (0.64) NPC1RAB9AGAANAMPTKMT2A
SCHEMBL5778074 0.89 NPC1 (0.61) NPC1RAB9AGAANAMPTKMT2A
SCHEMBL881829 0.79 RAB9A (1.00) NPC1RAB9AGAAKMT2AMAPT
SCHEMBL5777496 0.79 RAB9A (1.00) NPC1RAB9AGAAKMT2AMAPT
SCHEMBL24092731 0.78 HPGD (0.59) GAANAMPTKMT2APOLBSMN1; SMN2
SCHEMBL12490113 0.77 HPGD (0.72) NAMPTKMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL10838586 0.76 HPGD (0.62) NAMPTKMT2AALDH1A1HPGDMEN1
SCHEMBL6045903 0.75 HPGD (0.76) NAMPTKMT2ACA2CA7CA9
SCHEMBL21987038 0.73 HPGD (0.71) NAMPTKMT2ACA2CA7CA9
SCHEMBL738284 0.70 HPGD (0.67) KMT2ACA2CA7CA9MAPT

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.