SCHEMBL21130282

SCHEMBL21130282

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
ELANE P08246 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
HSPD1 P10809 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
PTPN5 P54829 1/20 0.31
HSPE1 P61604 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
PDE2A O00408 1/20 0.30
LRRK2 Q5S007 1/20 0.30
TDO2 P48775 1/20 0.30
MPL P40238 1/20 0.30

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
SCHEMBL17988060 0.88 LMNA (0.46) LMNAELANEKDM4EPOLBLRRK2
SCHEMBL21130278 0.86 LMNA (0.49) LMNAELANEKDM4EPOLB
SCHEMBL21130275 0.84 LMNA (0.52) LMNAELANEKDM4EPOLBPTPN2
SCHEMBL17087996 0.81 LMNA (0.46) LMNAELANEKDM4EPOLB
SCHEMBL21130276 0.81 LMNA (0.56) LMNAELANEKDM4EPOLBPTPN2
SCHEMBL21130279 0.80 LMNA (0.58) LMNAELANEKDM4EPOLBCYP11B2
SCHEMBL2706715 0.80 LMNA (0.56) LMNAELANEKDM4EPOLB
SCHEMBL19914259 0.79 LRRK2 (0.44) LMNAELANEKDM4EPOLBHSPD1
SCHEMBL21130359 0.78 LMNA (0.41) LMNAELANEKDM4EPOLBPDE2A
SCHEMBL19749169 0.78 LMNA (0.54) LMNAELANEKDM4EPOLB

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 1548/4885ELANE 240/4885KDM4E 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.