SCHEMBL21130355

SCHEMBL21130355

CC(C)(C)c1nc2cc(Cl)c(OC(F)(F)F)cc2o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
PGK1 P00558 1/20 0.47
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
NOTUM Q6P988 1/20 0.35
CNR2 P34972 1/20 0.33
GRM2 Q14416 2/20 0.32
EGLN1 Q9GZT9 1/20 0.32
SLC1A5 Q15758 2/20 0.32
F2RL3 Q96RI0 1/20 0.31
ELANE P08246 1/20 0.31
FBP1 P09467 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NR1I2 O75469 1/20 0.31
PPOX P50336 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KMO O15229 1/20 0.31
PDE3A Q14432 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL21130358 0.94 LMNA (0.49) LMNAPGK1KDM4EPOLBNOTUM
SCHEMBL21130356 0.84 LMNA (0.41) LMNAPGK1KDM4EPOLBGRM2
SCHEMBL19914260 0.82 PGK1 (0.49) LMNAPGK1KDM4EPOLBNOTUM
SCHEMBL21130359 0.81 LMNA (0.41) LMNAPGK1KDM4EPOLBGRM2
SCHEMBL21130273 0.80 LMNA (0.65) LMNAKDM4EPOLBELANEFBP1
SCHEMBL21130276 0.78 LMNA (0.56) LMNAKDM4EPOLBNOTUMCNR2
SCHEMBL21130279 0.77 LMNA (0.58) LMNAKDM4EPOLBF2RL3ELANE
SCHEMBL19914266 0.77 PGK1 (0.49) LMNAPGK1KDM4EPOLBNOTUM
SCHEMBL19914272 0.76 PGK1 (0.48) PGK1NOTUMEGLN1SLC1A5FBP1
SCHEMBL21130281 0.75 LMNA (0.64) LMNAKDM4EPOLBF2RL3ELANE

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-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 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-20190194179-A1 ANTIBIOTIC COMPOUNDS B3GNT2, RPN2, RPN1 LMNA 1548/4885PGK1 754/4885KDM4E 3731/4885

“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.