SCHEMBL116017

SCHEMBL116017

C#CCn1c(=O)c(-c2ccccc2C)c(O)c2c1cnn2C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.39
MAPT P10636 1/20 0.37
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
ADORA3 P0DMS8 2/20 0.35
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 1/20 0.34
BRD4 O60885 1/20 0.33
ADORA2B P29275 1/20 0.33
PADI4 Q9UM07 1/20 0.33
CASR P41180 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
SCHEMBL115102 0.86 HPGD (0.50) TP53MAPTLMNAHPGDMAPK1
SCHEMBL115132 0.82 METAP2 (0.45) TP53MAPTLMNAHPGDMAPK1
SCHEMBL115125 0.82 TP53 (0.39) TP53MAPTLMNAHPGDMAPK1
SCHEMBL115064 0.82 F7 (0.39) TP53LMNAHPGDMAPK1HTT
SCHEMBL116048 0.82 F7 (0.41) TP53MAPTLMNAHPGDMAPK1
SCHEMBL116012 0.79 ADORA3 (0.36) TP53LMNAADORA3SMN1; SMN2RAB9A
SCHEMBL114983 0.75 GAA (0.42)
SCHEMBL113670 0.74 CASR (0.38) TP53LMNAHPGDADORA3SMN1; SMN2
SCHEMBL114950 0.72 SMN1; SMN2 (0.34) TP53LMNAHPGDADORA3SMN1; SMN2
SCHEMBL115355 0.72 SMN1; SMN2 (0.34) TP53LMNAHPGDADORA3SMN1; SMN2

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-20120058893-A1 HERBICIDALLY ACTIVE KETOSULTAMS AND DIKETOPYRIDINES BAYER CROPSCIENCE AG (DE) 2012-03-08 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-20120058893-A1 HERBICIDALLY ACTIVE KETOSULTAMS AND DIKETOPYRIDINES KHK, KCNA1, KCNA2 TP53 4438/4885MAPT 3889/4885LMNA 3651/4885

“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.