SCHEMBL6015043

SCHEMBL6015043

COc1cc(CSC)nc(OC)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
ALDH1A1 P00352 5/20 0.33
CYP3A4 P08684 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL10272488 0.79 LMNA (0.47) LMNATDP1NOS3NOS2L3MBTL1
SCHEMBL10846707 0.77 LMNA (0.46) LMNATDP1L3MBTL1NPC1RAB9A
SCHEMBL14468994 0.77 LMNA (0.46) LMNATDP1L3MBTL1NPC1RAB9A
SCHEMBL16815455 0.77 LMNA (0.50) LMNATDP1L3MBTL1NPC1RAB9A
SCHEMBL1810100 0.75 LMNA (0.49) LMNATDP1L3MBTL1NPC1RAB9A
SCHEMBL439716 0.75 LMNA (0.59) LMNATDP1L3MBTL1NPC1RAB9A
SCHEMBL6343990 0.74 LMNA (0.43) LMNATDP1NOS3NOS1NOS2
SCHEMBL15218860 0.73 LMNA (0.42) LMNATDP1L3MBTL1NPC1RAB9A
SCHEMBL5596892 0.73 LMNA (0.42) LMNATDP1L3MBTL1NPC1RAB9A
SCHEMBL2887498 0.72 LMNA (0.41) LMNATDP1NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060223708-A1 Substituted N-[pyrimidin-2-ylmethyl]carboxamides and their use as herbicides and plant growth regulators BAYER CROPSCIENCE GMBH (DE) 2006-10-05 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-20060223708-A1 Substituted N-[pyrimidin-2-ylmethyl]carboxamides and their use as herbicides and plant growth regulators CNPY2, PRXL2A, CBR3 LMNA 4632/4885TDP1 3730/4885NOS3 1056/4885

“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.