SCHEMBL10109500

SCHEMBL10109500

CCN(CC)c1nc(C)cc(OP(=S)(CO)CO)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.67
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
ACHE P22303 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
CRHR1 P34998 5/20 0.32
CYP1A2 P05177 2/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 4/20 0.31
MEN1 O00255 3/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
HTT P42858 2/20 0.31
THRB P10828 1/20 0.30

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
SCHEMBL1901390 0.85 TDP1 (0.70) TDP1CYP3A4TSHRALDH1A1TP53
Pirimiphos Methyl SCHEMBL29358873 0.81 TDP1 (0.77) TDP1CYP3A4TSHRALDH1A1TP53
Pirimiphos Methyl SCHEMBL26456 0.81 TDP1 (0.77) TDP1CYP3A4TSHRALDH1A1TP53
Pirimiphos Methyl SCHEMBL7876104 0.81 TDP1 (0.77) TDP1CYP3A4TSHRALDH1A1TP53
Pirimiphos-Ethyl SCHEMBL29413995 0.80 TDP1 (1.00) TDP1CYP3A4TSHRALDH1A1TP53
Pirimiphos-Ethyl SCHEMBL7869678 0.80 TDP1 (1.00) TDP1CYP3A4TSHRALDH1A1TP53
Pirimiphos-Ethyl SCHEMBL74180 0.80 TDP1 (1.00) TDP1CYP3A4TSHRALDH1A1TP53
Pirimiphos Methyl SCHEMBL21357930 0.79 TDP1 (0.68) TDP1CYP3A4TSHRALDH1A1TP53
SCHEMBL11355114 0.78 TDP1 (0.60) TDP1CYP3A4TSHRALDH1A1TP53
SCHEMBL11374668 0.78 TDP1 (0.60) TDP1CYP3A4TSHRALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846567-B2 Active compound combinations having insecticidal and acaricidal properties BAYER CROPSCIENCE AG (DE) 2014-09-30 US disclosed
US-20120021901-A1 Active Compound Combinations Having Insecticidal and Acaricidal Properties BAYER CROPSCIENCE AG (DE) 2012-01-26 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-20120021901-A1 Active Compound Combinations Having Insecticidal and Acaricidal Properties ACHE, DDT, BCHE TDP1 2269/4885CYP3A4 279/4885TSHR 1522/4885

“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.