SCHEMBL940398

SCHEMBL940398

COc1cc(-n2c(I)nnc2I)ccc1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 3/20 0.42
CYP2C9 P11712 1/20 0.42
GAA P10253 2/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
PDE4B Q07343 1/20 0.37
PTGS2 P35354 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 2/20 0.34
DHFR P00374 1/20 0.34
TGFBR1 P36897 1/20 0.33
ACVR1 Q04771 1/20 0.33

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
SCHEMBL940333 0.78 TUBB4A (0.44) BRD9CYP2C9GAAALDH1A1PTGS2
SCHEMBL27899616 0.71 MEN1 (0.39) BRD9CYP2C9ALDH1A1PDE4BPTGS2
SCHEMBL941849 0.71 CYP2C9 (0.53) BRD9CYP2C9GAAMAPK1MAPT
SCHEMBL9042497 0.69 P2RX7 (0.42) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL4026631 0.69 ACHE (0.39) MAPTALDH1A1KDM4EDHFR
SCHEMBL30958058 0.69 ACHE (0.39) MAPTALDH1A1KDM4EDHFR
SCHEMBL25656907 0.68 ALDH1A1 (0.57) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL12806668 0.68 ALDH1A1 (0.61) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL10562175 0.67 CYP2C9 (0.43) BRD9CYP2C9ALDH1A1KDM4EMEN1
SCHEMBL13347571 0.67 NOTUM (0.46) MAPK1MAPTALDH1A1KDM4EMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015403-A1 PROCESS FOR PREPARING IODINATED AZOLES LANXESS DEUTSCHLAND GMBH (DE) 2011-01-20 US disclosed
EP-1979333-A1 PROCESS FOR PREPARING IODINATED AZOLES Lanxess Deutschland GmbH (DE) 2008-10-15 EP disclosed
WO-2007085349-A1 PROCESS FOR PREPARING IODINATED AZOLES LANXESS DEUTSCHLAND GMBH (DE) 2007-08-02 WO 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-20110015403-A1 PROCESS FOR PREPARING IODINATED AZOLES AZI2, TPO, INSR BRD9 162/4885CYP2C9 230/4885GAA 3637/4885

“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.