SCHEMBL2362830

SCHEMBL2362830

Cn1nc(C(F)(F)C(F)(F)F)c(I)c1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
PKM P14618 2/20 0.33
NPC1 O15118 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
SCHEMBL13365029 0.83 POLB (0.38) POLBMAPTTDP1L3MBTL1KDM4E
SCHEMBL2362708 0.81 L3MBTL1 (0.37) POLBMAPTTDP1L3MBTL1KDM4E
SCHEMBL2364460 0.80 MAPT (0.36) POLBMAPTTDP1L3MBTL1KDM4E
SCHEMBL12612225 0.78 POLB (0.34) POLBMAPTTDP1L3MBTL1KDM4E
SCHEMBL21596466 0.76 L3MBTL1 (0.33) POLBMAPTTDP1L3MBTL1KDM4E
SCHEMBL2362832 0.76 NPC1 (0.32) L3MBTL1PKMNPC1
SCHEMBL12611760 0.75 PKM (0.53) POLBMAPTPKM
SCHEMBL2364378 0.72 POLB (0.35) POLBMAPTTDP1L3MBTL1KDM4E
SCHEMBL2363444 0.72 PKM (0.37) POLBMAPTTDP1L3MBTL1PKM
SCHEMBL2363178 0.72 PKM (0.40) POLBMAPTTDP1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2352723-B1 PESTICIDAL N-ARYL- OR N-HETEROARYL PYRAZOLE CARBOXAMIDE COMPOUNDS BAYER IP GMBH (DE) 2016-11-23 EP disclosed
US-20150099766-A1 Novel halogen-substituted compounds BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-09 US disclosed
US-8946234-B2 Halogen-substituted compounds BAYER CROPSCIENCE AG (DE) 2015-02-03 US disclosed
US-8937150-B2 Anti-viral compounds ABBVIE INC. (US) 2015-01-20 US disclosed
US-20110301181-A1 halogen-substituted compounds BAYER CROPSCIENCE AG (DE) 2011-12-08 US disclosed
EP-2352723-A2 HALOGEN-SUBSTITUTED COMPOUNDS USED AS PESTICIDES Bayer CropScience AG (DE) 2011-08-10 EP disclosed
WO-2010051926-A2 NEW HALOGEN-SUBSTITUTED BONDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-05-14 WO disclosed
EP-2184273-A1 Halogen substituted compounds as pesticides Bayer CropScience AG (DE) 2010-05-12 EP 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 (2 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-20110301181-A1 halogen-substituted compounds L3MBTL4, QSOX1, L3MBTL3 POLB 1708/4885MAPT 4184/4885TDP1 1100/4885
US-20150099766-A1 Novel halogen-substituted compounds L3MBTL4, PRDX4, PRDX1 POLB 2153/4885MAPT 4164/4885TDP1 1323/4885

“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.