SCHEMBL21130281

SCHEMBL21130281

Cc1cc2oc(C(C)(C)C)nc2cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.64
PTGES O14684 7/20 0.39
ELANE P08246 2/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.35
F2RL3 Q96RI0 2/20 0.33
KMT2A Q03164 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32

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
SCHEMBL21130354 0.93 LMNA (0.56) LMNAPTGESELANEPOLBKDM4E
SCHEMBL21130273 0.87 LMNA (0.65) LMNAELANEPOLBKDM4EALDH1A1
SCHEMBL21130271 0.84 LMNA (0.48) LMNAPTGESPOLBKDM4EALDH1A1
SCHEMBL21130279 0.81 LMNA (0.58) LMNAELANEPOLBKDM4EALDH1A1
SCHEMBL2706715 0.81 LMNA (0.56) LMNAELANEPOLBKDM4EKMT2A
SCHEMBL19749169 0.79 LMNA (0.54) LMNAELANEPOLBKDM4EALDH1A1
SCHEMBL21130276 0.79 LMNA (0.56) LMNAPTGESELANEPOLBKDM4E
SCHEMBL10421505 0.79 LMNA (1.00) LMNAELANEPOLBKDM4EALDH1A1
SCHEMBL2493716 0.78 L3MBTL1 (0.43) LMNAPTGESPOLBKDM4EALDH1A1
SCHEMBL21130274 0.78 LMNA (0.55) LMNAELANEPOLBKDM4EALDH1A1

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 1548/4885PTGES 436/4885ELANE 240/4885

“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.