SCHEMBL21130274

SCHEMBL21130274

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
ELANE P08246 1/20 0.35
KDM4E B2RXH2 3/20 0.35
POLB P06746 1/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP11B2 P19099 1/20 0.32
MAPT P10636 1/20 0.31
LRRK2 Q5S007 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL21130279 0.93 LMNA (0.58) LMNAESR1ESR2ELANEKDM4E
SCHEMBL21130273 0.86 LMNA (0.65) LMNAESR1ESR2ELANEKDM4E
SCHEMBL21130278 0.86 LMNA (0.49) LMNAELANEKDM4EPOLBNPC1
SCHEMBL21130354 0.81 LMNA (0.56) LMNAESR1ESR2ELANEKDM4E
SCHEMBL21130275 0.81 LMNA (0.52) LMNAESR1ESR2ELANEKDM4E
SCHEMBL2706715 0.80 LMNA (0.56) LMNAESR1ESR2ELANEKDM4E
SCHEMBL17087996 0.78 LMNA (0.46) LMNAELANEKDM4EPOLBNPC1
SCHEMBL21130281 0.78 LMNA (0.64) LMNAESR1ESR2ELANEKDM4E
SCHEMBL19749169 0.78 LMNA (0.54) LMNAESR1ESR2ELANEKDM4E
SCHEMBL21130276 0.78 LMNA (0.56) LMNAELANEKDM4EPOLBLRRK2

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 1548/4885ESR1 559/4885ESR2 587/4885

“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.