SCHEMBL941849

SCHEMBL941849

COc1cc(-n2cnnc2)ccc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.53
CYP1A2 P05177 2/20 0.53
PTGS2 P35354 1/20 0.39
TSHR P16473 1/20 0.38
BRD9 Q9H8M2 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 3/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.36
DHFR P00374 1/20 0.36
S1PR1 P21453 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KATNA1 O75449 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL1911845 0.80 CYP11B1 (0.59) CYP2C9CYP1A2CYP3A4CYP2C19LMNA
SCHEMBL9042497 0.79 P2RX7 (0.42) CYP1A2TSHRKMT2AMEN1GAA
SCHEMBL12841361 0.78 CYP1A2 (0.47) CYP2C9CYP1A2KMT2AMEN1NPC1
SCHEMBL17725702 0.76 KMT2A (0.55) PTGS2TSHRKMT2AMEN1LMNA
SCHEMBL3344599 0.75 KMT2A (0.51) CYP2C9CYP1A2TSHRKMT2AMEN1
SCHEMBL27899616 0.74 MEN1 (0.39) CYP2C9PTGS2BRD9KMT2AMEN1
SCHEMBL4427652 0.74 PDE3B (0.40) CYP2C9CYP1A2PTGS2CYP3A4CYP2C19
SCHEMBL940333 0.74 TUBB4A (0.44) CYP2C9CYP1A2PTGS2BRD9KMT2A
SCHEMBL10053481 0.73 PKM (0.48) CYP2C9CYP1A2KMT2AMEN1NPC1
SCHEMBL4425136 0.73 NOTUM (0.46)

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 CYP2C9 230/4885CYP1A2 107/4885PTGS2 4550/4885

“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.