SCHEMBL3320833

SCHEMBL3320833

Nc1ccccc1-c1ccccc1Oc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
ALDH1A1 P00352 6/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
GAA P10253 2/20 0.44
RCE1 Q9Y256 1/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
LMNA P02545 1/20 0.44
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
IKBKB O14920 1/20 0.42
BRAF P15056 1/20 0.42
USP2 O75604 1/20 0.41
HTR1A P08908 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41

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
SCHEMBL395091 0.86 NCOA1 (0.56) NCOA1NCOA3ALDH1A1L3MBTL1GAA
SCHEMBL1283609 0.84 KDM4E (0.61) NCOA1NCOA3ALDH1A1L3MBTL1GAA
SCHEMBL1270982 0.82 ALDH1A1 (0.65) NCOA1NCOA3ALDH1A1L3MBTL1GAA
SCHEMBL1143083 0.78 NCOA1 (0.78) NCOA1NCOA3ALDH1A1L3MBTL1GAA
SCHEMBL29992912 0.78 NCOA1 (0.78) NCOA1NCOA3ALDH1A1L3MBTL1GAA
SCHEMBL11417681 0.78 NCOA1 (0.66) NCOA1NCOA3ALDH1A1L3MBTL1GAA
SCHEMBL6290676 0.77 ALDH1A1 (0.61) ALDH1A1L3MBTL1MAPTLMNACES2
SCHEMBL7257609 0.76 NCOA1 (0.75) NCOA1NCOA3ALDH1A1L3MBTL1GAA
SCHEMBL2463736 0.76 NCOA1 (0.75) NCOA1NCOA3ALDH1A1L3MBTL1GAA
SCHEMBL11135655 0.76 IKBKB (0.60) NCOA1NCOA3ALDH1A1L3MBTL1GAA

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-20100105651-A1 ANTAGONISTS OF SNS SODIUM CHANNELS VERNALIS (R&D) LIMITED (GB) 2010-04-29 US disclosed
EP-1933830-A1 ANTAGONISTS OF SNS SODIUM CHANNELS Vernalis (R&D) Limited (GB) 2008-06-25 EP disclosed
WO-2007007057-A1 ANTAGONISTS OF SNS SODIUM CHANNELS VERNALIS (R & D) LIMITED (GB) 2007-01-18 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-20100105651-A1 ANTAGONISTS OF SNS SODIUM CHANNELS CNR1, OPRL1, CHRNA10 NCOA1 280/4885NCOA3 355/4885ALDH1A1 1255/4885

“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.