SCHEMBL5877629

SCHEMBL5877629

C1=CC(c2ccccc2)Cc2[nH]nc(-c3cscn3)c21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
MAPK10 P53779 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
HTR7 P34969 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
METAP2 P50579 1/20 0.31
RAB9A P51151 1/20 0.31
METAP1 P53582 1/20 0.31
FKBP1A P62942 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL5876901 0.81 LRRK2 (0.40) LMNAMAPK10HCAR2HTR7NPC1
SCHEMBL5876644 0.81 MAPK10 (0.46) LMNAMAPK10HCAR2HTR7KDM4E
SCHEMBL5875946 0.81 ADORA2A (0.38) LMNAMAPK10HCAR2HTR7TDO2
SCHEMBL5877396 0.80 LMNA (0.33) LMNAMAPK10HCAR2HTR7
SCHEMBL5877114 0.79 MKNK1 (0.40) LMNAMAPK10HCAR2HTR7
SCHEMBL5877380 0.79 HDAC4 (0.37) LMNAMAPK10HCAR2HTR7
SCHEMBL5878068 0.76 PIM1 (0.40) LMNAMAPK10HCAR2HTR7IDO1
SCHEMBL5876817 0.76 KDM4E (0.39) LMNAMAPK10HCAR2HTR7KDM4E
SCHEMBL5875877 0.75 NISCH (0.41) LMNAMAPK10HCAR2HTR7KDM4E
SCHEMBL5876657 0.74 HDAC4 (0.37) LMNAMAPK10HCAR2HTR7CYP3A4

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 LMNA 4385/4885MAPK10 3260/4885HCAR2 398/4885

“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.