SCHEMBL5877207

SCHEMBL5877207

C1=CC(c2ccccc2)Cc2[nH]nc(-c3cnco3)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.37
HDAC3 O15379 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
LMNA P02545 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
MAPK10 P53779 1/20 0.33
PIM1 P11309 1/20 0.32
FLT3 P36888 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
HTR7 P34969 1/20 0.32
PTK2 Q05397 2/20 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
SCHEMBL5876644 0.81 MAPK10 (0.46) LMNAMAPK10PIM1FLT3HCAR2
SCHEMBL5877114 0.79 MKNK1 (0.40) LMNAMAPK10PIM1FLT3HCAR2
SCHEMBL5878102 0.78 IDO1 (0.42) CYP2D6CYP2C9CYP2C19LMNACYP11B1
SCHEMBL5877175 0.78 IDO1 (0.45) CYP2C19LMNAMAPK10PIM1HTR7
SCHEMBL5878068 0.76 PIM1 (0.40) LMNAMAPK10PIM1FLT3HCAR2
SCHEMBL5877380 0.76 HDAC4 (0.37) HDAC4LMNAMAPK10HCAR2HTR7
SCHEMBL5876657 0.76 HDAC4 (0.37) HDAC4CYP2C9LMNAMAPK10HCAR2
SCHEMBL5876901 0.74 LRRK2 (0.40) LMNAMAPK10PIM1HCAR2HTR7
SCHEMBL5875924 0.73 HCAR2 (0.38) LMNAMAPK10PIM1FLT3HCAR2
SCHEMBL5876817 0.73 KDM4E (0.39) CYP2C9CYP2C19LMNAMAPK10HCAR2

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-7119115-B2 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology AVENTIS PHARMA S.A. (FR) 2006-10-10 US disclosed
US-20040162276-A1 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology AVENTIS PHARMA S.A. (FR) 2004-08-19 US 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-20040162276-A1 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology IDO1, IDO2, INMT HDAC4 989/4885HDAC3 363/4885CYP2D6 23/4885

“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.