SCHEMBL5779694

SCHEMBL5779694

NCc1ccc(/C=N/Nc2ccc(-c3cnco3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
NOTUM Q6P988 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PTK2 Q05397 1/20 0.38
IMPDH2 P12268 2/20 0.37
IMPDH1 P20839 1/20 0.37
KCNH2 Q12809 1/20 0.37
KEAP1 Q14145 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
PSEN1 P49768 1/20 0.36

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
SCHEMBL5779696 1.00 PKM (0.39) PKMLMNAGAANOTUMAAK1
SCHEMBL5779703 0.86 GAA (0.42) PKMLMNAGAANOTUMAAK1
SCHEMBL5779700 0.86 GAA (0.42) PKMLMNAGAANOTUMAAK1
SCHEMBL5779771 0.86 LMNA (0.40) PKMLMNAGAANOTUMAAK1
SCHEMBL5779773 0.86 LMNA (0.40) PKMLMNAGAANOTUMAAK1
SCHEMBL5779782 0.85 LMNA (0.40) PKMLMNAGAANOTUMAAK1
SCHEMBL5779785 0.85 LMNA (0.40) PKMLMNAGAANOTUMAAK1
SCHEMBL5777066 0.84 NPC1 (0.46) PKMLMNAGAAAAK1KMT2A
SCHEMBL5779274 0.84 NPC1 (0.47) PKMLMNAGAANOTUMKMT2A
SCHEMBL5779271 0.84 NPC1 (0.47) PKMLMNAGAANOTUMKMT2A

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 PKM 3411/4885LMNA 861/4885GAA 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.