SCHEMBL5777441

SCHEMBL5777441

NNc1ccc(-c2ncon2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.37
LRRK2 Q5S007 1/20 0.34
PPARA Q07869 1/20 0.34
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
IDO1 P14902 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTGS2 P35354 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
SLC2A1 P11166 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31

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
SCHEMBL21769888 0.81 KMO (0.37) KMOPPARAJAK2JAK1GPR119
SCHEMBL70247 0.78 RAB9A (0.48) KMOPPARALMNACYP3A4TDP1
SCHEMBL21752919 0.77 ALDH1A1 (0.39) KMOPPARALMNAJAK2JAK1
SCHEMBL11708538 0.75 ADORA2A (0.36) KMOLMNACYP2C19TDP1ADORA2A
SCHEMBL11712888 0.75 ADORA2A (0.41) LMNACYP2C19ADORA2AADORA1
SCHEMBL30584973 0.74 KMO (0.41) KMOLRRK2PPARASLC2A1GPR119
SCHEMBL11708534 0.74 KDM4E (0.38) KMOLMNACYP2C19GPR119ADORA2A
SCHEMBL19356875 0.74 KMO (0.40) KMOPPARASLC2A1GPR119ADORA2A
SCHEMBL1188116 0.74 MEN1 (0.50) KMOPPARA
SCHEMBL16907809 0.74 NR1H4 (0.44) KMOPPARA

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 KMO 3041/4885LRRK2 208/4885PPARA 619/4885

“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.