SCHEMBL677257

SCHEMBL677257

CC(C)Cn1ncc(SCc2ccc(C(C)(C)C)cc2)c(Cl)c1=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.68
MEN1 O00255 1/20 0.68
NPC1 O15118 1/20 0.68
GALR3 O60755 1/20 0.68
NR2F2 P24468 1/20 0.68
GPR183 P32249 1/20 0.68
KMT2A Q03164 1/20 0.68
GPR35 Q9HC97 1/20 0.68
MAPT P10636 5/20 0.49
PKM P14618 3/20 0.49
GAA P10253 2/20 0.49
SCN9A Q15858 3/20 0.42
ALDH1A1 P00352 5/20 0.42
HTT P42858 5/20 0.42
NPSR1 Q6W5P4 4/20 0.42
LMNA P02545 3/20 0.42
PPARG P37231 3/20 0.42
NCOA2 Q15596 3/20 0.42
NCOA1 Q15788 3/20 0.42
SMN1; SMN2 Q16637 3/20 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
SCHEMBL9233697 0.85 MEN1 (0.69) RAB9AMEN1NPC1GALR3NR2F2
SCHEMBL9237988 0.84 KMT2A (0.68) RAB9AMEN1NPC1GALR3NR2F2
SCHEMBL9233692 0.84 MEN1 (0.71) RAB9AMEN1NPC1GALR3NR2F2
SCHEMBL8804643 0.83 MEN1 (0.67) RAB9AMEN1NPC1GALR3NR2F2
SCHEMBL9239334 0.82 RAB9A (0.76) RAB9AMEN1NPC1GALR3NR2F2
SCHEMBL9380142 0.82 KMT2A (0.79) RAB9AMEN1NPC1GALR3NR2F2
Pyridaben SCHEMBL8372466 0.81 MEN1 (1.00) RAB9AMEN1NPC1GALR3NR2F2
Pyridaben SCHEMBL27429 0.81 MEN1 (1.00) RAB9AMEN1NPC1GALR3NR2F2
SCHEMBL9235308 0.80 NPC1 (0.65) RAB9AMEN1NPC1GALR3NR2F2
SCHEMBL9235746 0.77 RAB9A (0.68) RAB9AMEN1NPC1GALR3NR2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160044921-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS BAYER CROPSCIENCE AG (DE) 2016-02-18 US disclosed
US-8962672-B2 Active agent combinations with insecticidal and acaricidal properties BAYER CROPSCIENCE AG (DE) 2015-02-24 US disclosed
US-20140287915-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS BAYER CROPSCIENCE AG (DE) 2014-09-25 US disclosed
US-8722072-B2 Acaricidal and/or insecticidal active ingredient combinations BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-13 US disclosed
US-20120010076-A1 ACTIVE AGENT COMBINATIONS WITH INSECTICIDAL AND ACARICIDAL PROPERITIES BAYER CROPSCIENCE AG (DE) 2012-01-12 US disclosed
US-20110275583-A1 Synergistic active compound combinations BAYER CROPSCIENCE AG (DE) 2011-11-10 US disclosed
US-20110229582-A1 Acaricidal and/or insecticidal active ingredient combinations BAYER CROPSCIENCE AG (DE) 2011-09-22 US disclosed
US-20110124588-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS BAYER CROPSCIENCE AG (DE) 2011-05-26 US disclosed
US-20100311677-A1 Active Ingredient Combinations Having Insecticidal and Acaricidal Properties BAYER CROPSCIENCE AG (DE) 2010-12-09 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 (7 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-20160044921-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS ACHE, ACAT2, ACAT1 RAB9A 236/4885MEN1 4379/4885NPC1 433/4885
US-20110229582-A1 Acaricidal and/or insecticidal active ingredient combinations DDT, AADAC, AGPS RAB9A 2480/4885MEN1 3033/4885NPC1 4258/4885
US-20110124588-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS ACHE, ACAT2, ACAT1 RAB9A 236/4885MEN1 4379/4885NPC1 433/4885
US-20140287915-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS ACHE, ACAT2, ACAT1 RAB9A 236/4885MEN1 4379/4885NPC1 433/4885
US-20120010076-A1 ACTIVE AGENT COMBINATIONS WITH INSECTICIDAL AND ACARICIDAL PROPERITIES ACAA2, ACHE, AADAC RAB9A 1065/4885MEN1 4243/4885NPC1 1666/4885
US-20110275583-A1 Synergistic active compound combinations ACHE, ACAT2, ACAT1 RAB9A 196/4885MEN1 4010/4885NPC1 210/4885
US-20100311677-A1 Active Ingredient Combinations Having Insecticidal and Acaricidal Properties ACHE, ACAT2, ACAT1 RAB9A 253/4885MEN1 3755/4885NPC1 474/4885

“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.