SCHEMBL4671301

SCHEMBL4671301

Cn1cc(C(=O)Nc2ccc(F)cc2CCC(C)(C)C)c(C(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 9/20 0.38
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.35
DHODH Q02127 1/20 0.35
GPR6 P46095 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 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
SCHEMBL30753925 0.87 ATM (0.44) IRAK4ATMDHODH
SCHEMBL169389 0.87 ATM (0.44) IRAK4ATMDHODH
SCHEMBL31375266 0.81 HSD17B10 (0.41) IRAK4HSD17B10NPC1RAB9ALMNA
SCHEMBL1145131 0.81 HSD17B10 (0.41) IRAK4HSD17B10NPC1RAB9ALMNA
SCHEMBL972387 0.80 ALOX15 (0.53) LMNAPOLB
SCHEMBL971255 0.80 ATM (0.50) IRAK4HSD17B10NPC1RAB9ALMNA
SCHEMBL3100950 0.79 IRAK4 (0.38) IRAK4ATM
SCHEMBL12893269 0.78 ATM (0.42) IRAK4LMNAATMDHODH
SCHEMBL13491718 0.77 CHRM3 (0.50) LMNAKDM4EATMALDH1A1
SCHEMBL4107508 0.76 ALDH1A1 (0.38) IRAK4HSD17B10NPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2000029-A1 Insecticide and fungicide active agent combinations Bayer CropScience AG (DE) 2008-12-10 EP claimed
US-7879760-B2 1-(Isopentyl-),2-((1,3-dimethyl-,5-fluoro-pyrrol-4-yl)- carbonylamino-)benzene; crop protection; fungicides; bactericides; plant growth regulators; molds/fungi; slimicides; algicides; wood; leather; textiles; paints;lubricants BAYER CROPSCIENCE AG (DE) 2011-02-01 US disclosed
US-7879760-B2 1-(Isopentyl-),2-((1,3-dimethyl-,5-fluoro-pyrrol-4-yl)- carbonylamino-)benzene; crop protection; fungicides; bactericides; plant growth regulators; molds/fungi; slimicides; algicides; wood; leather; textiles; paints;lubricants BAYER CROPSCIENCE AG (DE) 2011-02-01 US disclosed
EP-2000029-A1 Insecticide and fungicide active agent combinations Bayer CropScience AG (DE) 2008-12-10 EP disclosed
US-20070004921-A1 Isopentyl carboxanilides for combating undesired micro-organisms BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-01-04 US disclosed
US-20070004921-A1 Isopentyl carboxanilides for combating undesired micro-organisms BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-01-04 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-20070004921-A1 Isopentyl carboxanilides for combating undesired micro-organisms MLYCD, MRPL21, PGLS IRAK4 922/4885HSD17B10 1931/4885NPC1 3900/4885

“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.