SCHEMBL5778074

SCHEMBL5778074

O=C(c1ccc(NN=Cc2ccncc2)cc1)N1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.61
GAA P10253 5/20 0.61
RAB9A P51151 5/20 0.61
NAMPT P43490 2/20 0.55
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
CA7 P43166 1/20 0.48
EPHX2 P34913 2/20 0.48
KMT2A Q03164 1/20 0.47
PHGDH O43175 1/20 0.47
MAPT P10636 5/20 0.46
HPGD P15428 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
ALOX12 P18054 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 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
SCHEMBL5775293 0.89 NPC1 (0.65) NPC1GAARAB9ANAMPTCA2
SCHEMBL5779365 0.88 NPC1 (0.64) NPC1GAARAB9ANAMPTCA2
SCHEMBL15754906 0.79 PHGDH (0.66) NAMPTKMT2APHGDHMAPTHPGD
Hydrochloric Acid SCHEMBL9614659 0.77 PHGDH (0.64) NAMPTKMT2APHGDHMAPTHPGD
SCHEMBL5777496 0.76 RAB9A (1.00) NPC1GAARAB9AKMT2AMAPT
SCHEMBL881829 0.76 RAB9A (1.00) NPC1GAARAB9AKMT2AMAPT
SCHEMBL5777455 0.73 JAK3 (0.51) NPC1GAARAB9ANAMPTCA2
SCHEMBL5777456 0.73 JAK3 (0.51) NPC1GAARAB9ANAMPTCA2
SCHEMBL10720943 0.72 PHGDH (0.81) EPHX2KMT2APHGDHMAPTHPGD
SCHEMBL14368301 0.71 EPHX2 (0.59) NPC1EPHX2KMT2APHGDHMAPT

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 952/4885GAA 3175/4885RAB9A 3127/4885

“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.