SCHEMBL21130278

SCHEMBL21130278

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
ELANE P08246 1/20 0.39
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
F2RL3 Q96RI0 3/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34
GABRG3 Q99928 1/20 0.34

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
SCHEMBL17087996 0.87 LMNA (0.46) LMNAELANEKDM4EPOLBF2RL3
SCHEMBL21130282 0.86 LMNA (0.44) LMNAELANEKDM4EPOLB
SCHEMBL21130274 0.86 LMNA (0.55) LMNAELANEKDM4EPOLBRAB9A
SCHEMBL21130279 0.86 LMNA (0.58) LMNAELANEKDM4EPOLBF2RL3
SCHEMBL2706715 0.86 LMNA (0.56) LMNAELANEKDM4EPOLBRAB9A
SCHEMBL19749169 0.84 LMNA (0.54) LMNAELANEKDM4EPOLBRAB9A
SCHEMBL21130359 0.81 LMNA (0.41) LMNAELANEKDM4EPOLB
SCHEMBL21130356 0.81 LMNA (0.41) LMNAELANEKDM4EPOLB
SCHEMBL17988060 0.80 LMNA (0.46) LMNAELANEKDM4EPOLB
SCHEMBL12937263 0.78 LMNA (0.43) LMNAELANEKDM4EPOLBF2RL3

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.