SCHEMBL940333

SCHEMBL940333

COc1cc(-n2cnnc2I)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 4/20 0.44
TUBB P07437 4/20 0.44
TUBA3C P0DPH7 4/20 0.44
TUBA1B P68363 4/20 0.44
TUBA4A P68366 4/20 0.44
TUBB4B P68371 4/20 0.44
TUBB3 Q13509 4/20 0.44
TUBB2A Q13885 4/20 0.44
TUBB8 Q3ZCM7 4/20 0.44
TUBA3E Q6PEY2 4/20 0.44
TUBA1A Q71U36 4/20 0.44
TUBA1C Q9BQE3 4/20 0.44
TUBB6 Q9BUF5 4/20 0.44
TUBB2B Q9BVA1 4/20 0.44
TUBB1 Q9H4B7 4/20 0.44
PTGS2 P35354 1/20 0.37
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL940398 0.78 BRD9 (0.42) PTGS2KMT2AMEN1NPC1RAB9A
SCHEMBL941849 0.74 CYP2C9 (0.53) PTGS2KMT2AMEN1NPC1RAB9A
SCHEMBL1912040 0.69 CYP3A4 (0.48) CYP2C9CYP1A2ALDH1A1
SCHEMBL17725702 0.69 KMT2A (0.55) PTGS2KMT2AMEN1ALDH1A1LMNA
SCHEMBL27899616 0.67 MEN1 (0.39) PTGS2KMT2AMEN1NPC1RAB9A
SCHEMBL1912000 0.66 LRRK2 (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1911845 0.66 CYP11B1 (0.59) CYP2C9CYP1A2LMNA
SCHEMBL22827475 0.65 HTT (0.44) KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL9042497 0.65 P2RX7 (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30958058 0.65 ACHE (0.39) TUBB1S1PR1DHFRALDH1A1

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 TUBB4A 452/4885TUBB 725/4885TUBA3C 563/4885

“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.