SCHEMBL21130359

SCHEMBL21130359

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
PDE2A O00408 1/20 0.34
PGK1 P00558 1/20 0.33
IDO1 P14902 1/20 0.33
ELANE P08246 1/20 0.32
GRM2 Q14416 2/20 0.31
EPHX2 P34913 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
SCHEMBL21130356 0.94 LMNA (0.41) LMNAKDM4EPOLBPDE2APGK1
SCHEMBL21130358 0.84 LMNA (0.49) LMNAKDM4EPOLBPGK1ELANE
SCHEMBL19914274 0.82 SMN1; SMN2 (0.42) LMNAKDM4EPOLBPDE2APGK1
SCHEMBL21130355 0.81 LMNA (0.52) LMNAKDM4EPOLBPGK1ELANE
SCHEMBL21130278 0.81 LMNA (0.49) LMNAKDM4EPOLBELANE
SCHEMBL21066420 0.79 IDO1 (0.34) PDE2APGK1IDO1EPHX2
SCHEMBL19914310 0.79 PGK1 (0.38) KDM4EPDE2APGK1IDO1EPHX2
SCHEMBL21130282 0.78 LMNA (0.44) LMNAKDM4EPOLBPDE2AELANE
SCHEMBL19914283 0.78 CHRNB2 (0.40) LMNAPOLBPDE2APGK1IDO1
SCHEMBL17087996 0.76 LMNA (0.46) LMNAKDM4EPOLBELANE

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 1548/4885KDM4E 3731/4885POLB 234/4885

“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.