SCHEMBL9975206

SCHEMBL9975206

O=C1OC(Br)(CBr)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.47
GOPC Q9HD26 1/20 0.47
NPSR1 Q6W5P4 4/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
GPR55 Q9Y2T6 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ESR1 P03372 1/20 0.42
TP53 P04637 1/20 0.42
TYMS P04818 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ESR2 Q92731 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL25387968 0.78 NPSR1 (0.49) CFTRGOPCNPSR1LMNAMAPT
SCHEMBL9975204 0.76 CFTR (0.46) CFTRGOPCNPSR1LMNAMAPT
SCHEMBL6425661 0.75 CFTR (0.53) CFTRGOPCNPSR1LMNAMAPT
SCHEMBL31267314 0.72 CFTR (0.50) CFTRGOPCNPSR1LMNAMAPT
SCHEMBL31347136 0.72 CFTR (0.50) CFTRGOPCNPSR1LMNAMAPT
SCHEMBL9787743 0.70 CFTR (0.57) CFTRGOPCNPSR1LMNAMAPT
SCHEMBL28524472 0.69 CFTR (0.61) CFTRGOPCNPSR1LMNAMAPT
SCHEMBL11249029 0.69 CFTR (0.55) CFTRGOPCNPSR1LMNAMAPT
SCHEMBL3949342 0.69 CFTR (0.73) CFTRGOPCNPSR1LMNAMAPT
SCHEMBL30772290 0.69 CFTR (0.73) CFTRGOPCNPSR1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130267717-A1 PROCESS FOR THE PREPARATION OF ATOVAQUONE GLAXO GROUP LIMITED (GB) 2013-10-10 US disclosed
US-20130267717-A1 PROCESS FOR THE PREPARATION OF ATOVAQUONE GLAXO GROUP LIMITED (GB) 2013-10-10 US disclosed
WO-2012080243-A2 NOVEL PROCESS GLAXO GROUP LIMITED (GB) 2012-06-21 WO 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-20130267717-A1 PROCESS FOR THE PREPARATION OF ATOVAQUONE DHPS, VKORC1, DPYD CFTR 4672/4885GOPC 3118/4885NPSR1 4315/4885

“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.