SCHEMBL16079591

SCHEMBL16079591

BrC1=CC(N2CCOCC2)=CCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
ALDH1A1 P00352 5/20 0.33
ALOX15 P16050 3/20 0.33
HSD17B10 Q99714 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
AR P10275 1/20 0.32
MAPT P10636 5/20 0.32
HTT P42858 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 2/20 0.32
STAT3 P40763 1/20 0.32
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
RAB9A P51151 1/20 0.32
MAPK1 P28482 2/20 0.31
POLB P06746 2/20 0.31
USP2 O75604 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
SCHEMBL16079593 0.78 LMNA (0.34) LMNAALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL14087874 0.75 MAPT (0.34) LMNAALDH1A1HSD17B10KDM4EMAPT
SCHEMBL11623043 0.70 AR (0.44) LMNAKDM4EARMAPTHTT
SCHEMBL27793746 0.69 LMNA (0.43) LMNAALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL28305687 0.67 MTOR (0.38) LMNAALDH1A1KDM4EHPGDMAPT
SCHEMBL16501134 0.67 LMNA (0.38) LMNAALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL16088306 0.67 MAPT (0.33) LMNAALDH1A1HSD17B10MAPTSMN1; SMN2
SCHEMBL11622794 0.66 ALDH1A1 (0.44) ALDH1A1KDM4EHTTSMN1; SMN2TP53
SCHEMBL28039623 0.64 ADRA2A (0.37) LMNAALDH1A1ALOX15HSD17B10KDM4E
SCHEMBL21850711 0.63 MAPT (0.38) LMNAALDH1A1ALOX15HSD17B10KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359380-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-07 US disclosed
US-20140275059-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-18 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-20140275059-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK LMNA 484/4885ALDH1A1 2935/4885ALOX15 4652/4885

“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.