SCHEMBL5779753

SCHEMBL5779753

O=C(O)N1CCN(c2ccc(C=NNc3ccc(-c4cnco4)c(I)c3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.45
MAPT P10636 5/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
KDM4E B2RXH2 3/20 0.45
POLB P06746 2/20 0.45
CA2 P00918 12/20 0.43
CA9 Q16790 12/20 0.43
CA7 P43166 9/20 0.43
CA1 P00915 9/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
JAK3 P52333 1/20 0.41
ALOX12 P18054 2/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CA12 O43570 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL5779750 1.00 GAA (0.45) GAAMAPTNPC1RAB9AKDM4E
SCHEMBL5778057 0.87 MAOA (0.52) GAAMAPTNPC1RAB9AKDM4E
SCHEMBL5778054 0.87 MAOA (0.52) GAAMAPTNPC1RAB9AKDM4E
SCHEMBL5779118 0.85 MAPT (0.44) GAAMAPTNPC1RAB9AKDM4E
SCHEMBL5779122 0.85 MAPT (0.44) GAAMAPTNPC1RAB9AKDM4E
SCHEMBL5779193 0.79 JAK3 (0.41) GAAMAPTNPC1RAB9AKDM4E
SCHEMBL5779195 0.79 JAK3 (0.41) GAAMAPTNPC1RAB9AKDM4E
SCHEMBL5778422 0.78 RAB9A (0.49) GAAMAPTNPC1RAB9APOLB
SCHEMBL5779016 0.74 IMPDH2 (0.39) GAAMAPTNPC1RAB9APOLB
SCHEMBL5779013 0.74 IMPDH2 (0.39) GAAMAPTNPC1RAB9APOLB

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 GAA 3175/4885MAPT 94/4885NPC1 952/4885

“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.