SCHEMBL2836683

SCHEMBL2836683

Fc1cc(OCC(F)(F)C(F)(F)F)ccc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.38
NSD3 Q9BZ95 1/20 0.38
SLC6A4 P31645 1/20 0.36
EGFR P00533 1/20 0.35
KDR P35968 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MCHR1 Q99705 1/20 0.33
GPR3 P46089 1/20 0.33
CYP17A1 P05093 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM1A O60341 2/20 0.31
KCNH2 Q12809 2/20 0.31
KDM1B Q8NB78 1/20 0.31
ALDH1A1 P00352 2/20 0.31
PARP15 Q460N3 1/20 0.31
PARP10 Q53GL7 1/20 0.31
MAPT P10636 1/20 0.31
MAOB P27338 2/20 0.30
AOC3 Q16853 1/20 0.30

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
SCHEMBL23414843 0.86 KDM4E (0.45) NSD2NSD3SLC6A4EGFRKDR
SCHEMBL29972592 0.86 KDM4E (0.45) NSD2NSD3SLC6A4EGFRKDR
SCHEMBL7762488 0.76 KDM4E (0.41) KDM4EALDH1A1MAPTMAOB
SCHEMBL15806741 0.76 EGFR (0.42) NSD2NSD3SLC6A4EGFRKDR
SCHEMBL18991334 0.74 MCHR1 (0.40) NSD2NSD3SLC6A4EGFRKDR
SCHEMBL18991331 0.74 MCHR1 (0.40) NSD2NSD3SLC6A4EGFRKDR
SCHEMBL17366239 0.74 NSD2 (0.41) NSD2NSD3SLC6A4EGFRKDR
SCHEMBL1509936 0.74 NQO1 (0.50) NSD2NSD3SLC6A4EGFRKDR
SCHEMBL16108829 0.74 MAOB (0.51) KDM4EALDH1A1MAPTMAOB
SCHEMBL7912630 0.73 NSD2 (0.46) NSD2NSD3SLC6A4EGFRKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367838-B2 Amines or amino alcohols as GLYT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-02-05 US disclosed
US-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS KOLCZEWSKI SABINE (DE) 2012-09-13 US disclosed
EP-2398558-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-12-28 EP disclosed
WO-2010094659-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO disclosed
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-08-19 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 (2 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-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 NSD2 2876/4885NSD3 2329/4885SLC6A4 33/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 NSD2 2876/4885NSD3 2329/4885SLC6A4 33/4885

“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.