SCHEMBL4669956

SCHEMBL4669956

Cc1ccsc1C(=O)Nc1ccccc1CCC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 2/20 0.49
RAB9A P51151 7/20 0.45
NPC1 O15118 6/20 0.45
PPARG P37231 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
MEN1 O00255 1/20 0.45
NAMPT P43490 1/20 0.44
PKM P14618 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
GRM1 Q13255 1/20 0.43
POLB P06746 1/20 0.43
SLC16A3 O15427 1/20 0.42

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
SCHEMBL13645570 0.82 KMT2A (0.52) HPGDSMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL13292843 0.80 ALDH1A1 (0.44) HPGDSMN1; SMN2KMT2ARAB9APPARG
SCHEMBL12893266 0.79 SLC16A3 (0.64) HPGDSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL9259634 0.78 HPGD (0.63) HPGDSMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL13295584 0.76 HPGD (0.48) HPGDSMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL4860405 0.76 SMN1; SMN2 (0.60) HPGDSMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL1259950 0.75 HTT (0.57) HPGDSMN1; SMN2NPC1ALDH1A1POLB
SCHEMBL4818422 0.74 SMN1; SMN2 (0.58) HPGDSMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL6018780 0.73 SMN1; SMN2 (0.57) HPGDSMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL4671630 0.71 SMN1; SMN2 (0.54) HPGDSMN1; SMN2KMT2AMEN1ALDH1A1

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 10 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
WO-2007104437-A1 FUNGICIDAL ACTIVE INGREDIENT COMBINATIONS BAYER CROPSCIENCE AG (DE) 2007-09-20 WO 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-2001299-A2 FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS Bayer CropScience Aktiengesellschaft (DE) 2008-12-17 EP disclosed
EP-2000029-A1 Insecticide and fungicide active agent combinations Bayer CropScience AG (DE) 2008-12-10 EP disclosed
WO-2007110173-A2 FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AG (DE) 2007-10-04 WO disclosed
WO-2007104437-A1 FUNGICIDAL ACTIVE INGREDIENT COMBINATIONS BAYER CROPSCIENCE AG (DE) 2007-09-20 WO 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 HPGD 3332/4885SMN1; SMN2 4608/4885KMT2A 2301/4885

“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.