SCHEMBL115102

SCHEMBL115102

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
HTT P42858 2/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 7/20 0.41
RCE1 Q9Y256 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
LYN P07948 1/20 0.40
SRC P12931 1/20 0.40
BTK Q06187 1/20 0.40
MAPT P10636 2/20 0.39
ACSS2 Q9NR19 1/20 0.39
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
METAP2 P50579 2/20 0.38
CASR P41180 1/20 0.37
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
GAA P10253 2/20 0.36

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
SCHEMBL115132 0.86 METAP2 (0.45) HPGDHTTLMNAMAPK1TP53
SCHEMBL116017 0.86 TP53 (0.39) HPGDHTTLMNAMAPK1TP53
SCHEMBL115125 0.86 TP53 (0.39) HPGDHTTLMNAMAPK1TP53
SCHEMBL116048 0.86 F7 (0.41) HPGDHTTLMNAMAPK1KDM4E
SCHEMBL115199 0.81 HPGD (0.44) HPGDHTTLMNAMAPK1KDM4E
SCHEMBL113740 0.77 KDM4E (0.42) HPGDHTTKDM4ERCE1SMN1; SMN2
SCHEMBL115267 0.72 KMT2A (0.50) KDM4ERCE1SMN1; SMN2GAA
SCHEMBL11910054 0.72 F7 (0.44) HPGDKDM4ESMN1; SMN2MAPTF7
SCHEMBL115176 0.72 KDM4E (0.42) HPGDHTTLMNAKDM4ERCE1
SCHEMBL115231 0.71 F7 (0.44) HPGDLMNAKDM4ETP53SMN1; 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 HPGD 443/4885HTT 1237/4885LMNA 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.