SCHEMBL5778977

SCHEMBL5778977

CNCc1ccc(C=NNc2ccc(-c3cccnc3)cc2)cc1I

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.45
RAB9A P51151 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
NPC1 O15118 5/20 0.45
ALDH1A1 P00352 4/20 0.45
LMNA P02545 3/20 0.45
EPHX2 P34913 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
GAA P10253 7/20 0.43
GFER P55789 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 5/20 0.37
POLB P06746 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL5778974 1.00 MAPT (0.45) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5778662 0.82 HDAC3 (0.41) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5778666 0.81 HDAC3 (0.42) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5775283 0.80 LMNA (0.36) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5775279 0.80 LMNA (0.36) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5773744 0.78 GAA (0.53) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5773740 0.78 GAA (0.53) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5780650 0.77 MAPT (0.49) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5775664 0.74 RAB9A (0.57) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5779017 0.72 LMNA (0.36) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1

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 MAPT 94/4885RAB9A 3127/4885SMN1; SMN2 2146/4885

“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.